data_1wft_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 1wft _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 ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.815 0.256 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.02 154.79 1.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.7 149.57 96.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 146.25 59.36 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.26 . . . . 0.0 112.346 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.6 m -120.28 168.99 10.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 59.63 49.82 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -96.87 111.89 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -121.71 159.12 27.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 58.9 mt -128.13 117.78 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.8 m -111.88 148.97 32.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -72.16 131.99 43.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -105.26 169.5 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.9 t -82.63 -12.66 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -125.17 10.17 8.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.89 -123.73 1.49 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.501 HD12 ' CZ3' ' A' ' 111' ' ' TRP . 65.6 mt -123.8 139.42 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 111.166 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -107.23 99.62 9.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 tp -86.23 123.43 31.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.5 p -132.07 147.62 52.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 48.3 p90 -155.45 -178.78 7.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -128.32 153.66 78.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 163.81 36.86 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.698 2.266 . . . . 0.0 112.365 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 148.54 65.4 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.351 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.18 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.2 mm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.861 0.363 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.6 mt -78.66 171.06 15.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -45.74 156.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -96.75 166.52 11.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.6 t -148.56 136.15 20.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -116.44 130.1 56.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 3.2 m-85 -112.99 158.05 20.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.6 tp -138.27 127.73 24.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.61 137.08 44.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.6 pt -135.53 170.93 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.443 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.844 0.354 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.1 t -119.5 104.45 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.53 ' CD1' ' NH2' ' A' ' 94' ' ' ARG . 16.3 m-85 -92.21 128.46 38.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.91 133.97 55.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -50.59 128.81 21.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.0 pt -117.43 -30.61 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -128.06 126.62 41.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.6 t -119.38 106.68 12.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.0 -167.26 35.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.446 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -111.66 -27.39 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.37 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.74 145.49 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.2 p -93.04 38.55 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.5 p -171.73 126.95 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 11.4 p -129.83 167.74 17.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.2 m -124.93 135.66 53.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.0 t -111.23 118.5 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.7 p -77.63 155.54 31.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 78' ' ' LEU . . . -49.53 -61.02 2.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.56 -37.73 0.57 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -74.2 -41.54 61.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.359 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 75' ' ' ALA . 9.5 mt -57.4 -34.11 68.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.77 -13.26 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.082 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.34 -22.16 16.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.69 133.8 55.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 82' ' ' HIS . 7.2 t60 -96.08 105.16 17.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.6 mt -81.79 135.67 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -82.82 109.95 17.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -97.66 34.09 1.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.9 m -84.18 -60.04 2.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -113.78 -49.7 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.8 mtt85 -144.12 132.5 10.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.631 0.729 . . . . 0.0 110.822 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 95.77 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.314 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.88 154.05 49.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.571 HG21 ' CE2' ' A' ' 93' ' ' PHE . 72.3 mt -88.59 129.52 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.9 t -96.55 116.87 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.571 ' CE2' HG21 ' A' ' 91' ' ' ILE . 40.6 m-85 -110.93 147.21 35.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.825 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.53 ' NH2' ' CD1' ' A' ' 60' ' ' PHE . 5.5 ttm180 -124.3 136.16 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 96' ' ' SER . 28.2 mt -142.58 147.02 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.183 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.431 ' N ' HG22 ' A' ' 95' ' ' ILE . 4.1 t -156.52 177.67 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -126.89 134.03 50.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.535 ' HB2' ' CE2' ' A' ' 103' ' ' TYR . 27.8 tttt -83.58 135.82 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.48 -58.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -132.89 -65.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -123.86 -10.35 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -140.11 -178.31 16.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' A' ' 98' ' ' LYS . 12.6 m-85 -113.23 165.06 12.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 0.0 110.891 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -86.3 -152.7 21.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.445 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 124.82 11.43 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.46 ' CB ' ' HD3' ' A' ' 94' ' ' ARG . . . -81.72 149.05 28.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.9 m -104.51 133.12 49.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -98.15 113.42 25.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.6 tt -112.39 149.82 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -120.26 117.2 27.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.501 ' CZ3' HD12 ' A' ' 23' ' ' ILE . 15.0 t90 -100.62 111.92 24.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 113' ' ' GLN . 16.8 mt -83.57 115.9 22.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 112' ' ' LEU . 53.7 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.845 0.269 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.92 154.49 25.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.552 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.16 151.15 39.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.56 0.695 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 159.84 51.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.287 . . . . 0.0 112.317 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -138.61 168.52 19.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m 55.17 47.77 20.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.3 t -76.26 111.04 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -106.71 152.17 24.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.3 mt -135.01 122.68 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -117.6 147.89 42.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -70.9 131.88 44.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -104.73 146.62 28.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.6 m -61.29 -20.76 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -114.54 2.28 14.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.26 -121.0 0.99 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.0 mt -130.86 138.05 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -108.64 99.75 9.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.451 HD13 ' CE2' ' A' ' 93' ' ' PHE . 1.8 tp -80.09 136.8 36.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -138.45 162.12 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 32.8 p90 -167.92 -176.7 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -127.05 155.62 75.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 152.07 69.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.314 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 107.34 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.413 ' O ' ' CG2' ' A' ' 31' ' ' THR . 9.1 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.9 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.846 0.355 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.6 mt -56.27 -68.17 0.23 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -148.05 170.71 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -108.63 162.79 13.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -150.13 120.4 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.99 145.02 30.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 1.5 m-85 -130.84 157.88 41.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.3 tp -127.02 118.88 25.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.65 125.15 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.1 pt -131.5 161.22 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.414 HD23 ' CD2' ' A' ' 82' ' ' HIS . 5.9 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.1 t -86.93 137.82 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.522 ' CE2' ' HG3' ' A' ' 94' ' ' ARG . 10.6 m-85 -114.28 153.06 30.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 15.6 ptt? -126.51 138.29 53.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -60.06 119.59 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.5 pt -115.88 -14.8 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -149.84 132.28 15.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 38.1 t -123.74 96.97 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.26 -162.77 12.35 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.02 -19.01 5.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 69' ' ' THR . 7.2 tmtm? -53.72 147.06 12.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.453 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 66.6 p -83.86 27.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.451 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 3.8 p -168.0 131.85 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 18.7 p -129.81 168.01 17.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.7 m -118.03 138.05 52.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -115.2 132.95 62.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.6 p -90.49 161.51 15.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.97 83.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -43.1 -39.29 3.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -79.9 -38.09 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.923 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 63.2 mt -54.48 -35.86 63.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.6 -29.94 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.087 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -85.44 -15.62 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.33 128.47 37.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.414 ' CD2' HD23 ' A' ' 58' ' ' LEU . 13.6 t60 -75.04 125.14 28.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.56 HG21 ' CE2' ' A' ' 85' ' ' TYR . 16.2 mm -98.97 126.63 52.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 88' ' ' ARG . 16.6 t70 -98.96 94.94 6.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.56 ' CE2' HG21 ' A' ' 83' ' ' ILE . 20.0 m-85 -81.59 -30.01 33.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 85' ' ' TYR . 95.5 m -36.82 -64.3 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 m -92.06 -67.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 7.3 ttm105 -148.64 133.45 9.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 92.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.41 160.67 39.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.3 mt -86.84 127.41 40.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.5 t -87.44 103.84 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.451 ' CE2' HD13 ' A' ' 25' ' ' LEU . 6.6 m-85 -100.55 133.84 44.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.522 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -118.24 134.15 55.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.2 mt -138.44 138.14 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.3 t -151.96 172.27 16.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.45 150.83 34.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.06 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 103' ' ' TYR . 3.5 ttpm? -112.22 121.06 43.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 100' ' ' GLU . 13.9 p-10 -120.94 173.76 7.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 99' ' ' ASN . 17.0 mt-10 -35.06 -39.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -77.92 -59.61 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 158.92 -128.37 2.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.44 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 98' ' ' LYS . 71.6 m-85 -114.74 127.16 55.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.971 0.415 . . . . 0.0 110.906 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.36 -95.93 1.94 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 136.33 32.86 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.324 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -127.01 165.84 18.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.0 m -127.39 123.49 36.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -104.68 116.33 31.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.424 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 10.7 tt -116.89 158.37 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -125.12 120.39 31.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -101.74 126.63 48.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 33.4 mt -81.72 97.04 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 179.919 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.23 0.123 0 CA-C-O 120.855 0.273 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.77 170.86 31.15 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.82 154.36 47.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.576 0.703 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 141.59 45.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.2 m -117.87 162.02 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.4 m 55.51 47.65 20.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -81.19 114.9 22.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.0 mtm-85 -112.05 146.44 37.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.1 mt -122.9 109.23 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 t -108.75 123.03 48.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -67.38 136.32 54.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -106.44 171.56 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.4 t -74.4 -37.42 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -93.4 -20.95 19.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.33 -128.57 1.08 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 60.7 mt -127.96 153.33 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 111.104 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -118.12 97.97 6.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.831 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tp -87.39 117.01 25.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.1 p -123.38 155.19 37.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.2 p90 -159.89 177.07 11.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -124.16 154.19 68.41 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.63 0.728 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 169.99 17.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 116.7 4.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.1 mm . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.819 0.342 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 9.9 mt -67.64 -59.05 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 38' ' ' LEU . 22.9 mt-10 -162.78 171.37 16.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -115.36 168.3 10.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -152.72 129.0 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.03 158.7 15.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -144.92 157.58 44.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 tp -147.62 121.41 9.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.551 ' HB3' ' CE2' ' A' ' 60' ' ' PHE . . . -57.05 128.82 38.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.7 pt -122.26 149.51 25.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.427 ' N ' ' HB2' ' A' ' 82' ' ' HIS . 15.7 ttt85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.853 0.358 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.4 p -106.64 135.43 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 45' ' ' ALA . 16.7 m-85 -121.57 143.1 49.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.2 ptt? -130.06 143.21 50.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -67.58 117.59 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.7 pt -103.57 -24.73 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -130.03 132.86 46.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.3 p -125.65 111.92 15.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.82 171.53 39.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -88.02 -24.39 23.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.02 141.05 29.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.9 p -87.74 40.07 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.184 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 m -167.1 145.97 5.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 27.1 p -148.77 167.33 25.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.1 m -121.14 138.02 54.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -120.91 111.74 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.3 p -76.99 168.86 19.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.55 76.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.082 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -42.78 -49.78 6.02 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -69.28 -47.25 65.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.8 mt -47.6 -47.97 28.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.28 -42.9 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.106 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -72.16 -22.44 61.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.55 134.57 57.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.427 ' HB2' ' N ' ' A' ' 47' ' ' ARG . 7.8 t60 -86.44 133.27 33.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.405 ' HB ' ' CE2' ' A' ' 85' ' ' TYR . 46.7 mm -106.73 120.67 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -74.15 104.87 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.405 ' CE2' ' HB ' ' A' ' 83' ' ' ILE . 61.1 m-85 -104.68 42.57 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.5 t -113.28 -33.71 5.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.4 m -125.2 -41.75 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -165.7 130.95 1.9 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 90.51 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.71 167.13 22.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 62.1 mt -92.16 124.77 44.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.5 t -94.9 110.06 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -103.38 175.13 5.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -160.24 119.88 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.5 mt -125.21 147.37 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -163.22 161.71 25.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.24 158.33 17.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 14.8 ttpt -119.2 123.93 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -125.28 -177.25 3.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 -40.31 -45.96 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -66.73 -62.77 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.54 -137.37 4.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.535 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 41.2 m-85 -101.99 120.12 39.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.949 0.404 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.66 -155.76 5.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.432 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 146.09 59.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -110.69 132.94 53.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.6 m -83.58 127.12 33.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -98.69 114.04 26.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 13.3 tt -111.72 155.98 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 51.3 mtt85 -124.84 101.92 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 20.1 t90 -88.59 111.61 22.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 mt -76.06 130.19 37.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.23 0.108 0 CA-C-O 120.846 0.269 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.34 162.07 13.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.78 144.1 29.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 133.38 25.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -122.94 158.13 31.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m 69.16 47.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.86 121.36 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -114.62 144.75 42.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.4 mt -130.27 125.93 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.7 m -116.22 149.93 38.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -91.57 122.25 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -116.59 154.55 30.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -53.5 -40.98 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -71.0 -20.93 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.72 -124.39 1.48 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.497 HD12 ' CZ3' ' A' ' 111' ' ' TRP . 14.8 mt -118.21 143.62 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 111.114 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 71' ' ' CYS . 6.6 t-80 -115.02 107.69 15.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.555 HD12 ' CD2' ' A' ' 93' ' ' PHE . 2.8 tp -84.3 124.16 30.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -128.8 163.25 25.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.557 ' CE3' HD12 ' A' ' 95' ' ' ILE . 31.7 p90 -171.67 178.17 3.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -123.33 155.18 65.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.654 0.74 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.41 67.05 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 138.3 37.4 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.513 HG22 ' CE1' ' A' ' 40' ' ' TYR . 29.8 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.855 0.36 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.1 mt -57.6 -57.65 11.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -163.66 164.5 23.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.513 ' CE1' HG22 ' A' ' 37' ' ' ILE . 5.0 m-85 -111.44 168.91 9.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.8 p -164.97 148.1 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -106.97 165.26 11.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -144.35 147.33 33.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 tp -136.67 118.97 15.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.465 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -57.39 125.97 25.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.058 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.9 pt -114.01 -178.07 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.431 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 10.6 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.835 0.35 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.0 p -79.15 132.69 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 15.0 m-85 -104.36 160.51 14.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.437 ' CE ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -143.87 132.92 22.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 62' ' ' ARG . 17.6 ttp-105 -51.95 136.14 29.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.437 HG23 ' CE ' ' A' ' 61' ' ' MET . 13.8 pt -123.96 -14.63 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -143.03 144.59 32.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.8 p -125.49 127.02 45.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.63 172.15 24.46 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.527 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.39 14.19 30.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -82.59 150.86 26.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.419 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 80.8 p -93.81 27.0 2.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.3 p -162.19 125.7 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.468 ' O ' ' CD2' ' A' ' 24' ' ' HIS . 12.8 p -129.86 167.79 17.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.4 m -116.43 145.13 43.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.2 t -126.42 113.0 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.7 p -81.97 155.06 25.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.86 -53.21 34.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.61 -34.07 0.24 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -81.58 -50.66 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' A' ' 23' ' ' ILE . 13.9 mt -43.48 -30.73 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.57 -42.83 71.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 81' ' ' ALA . 27.2 p30 -73.54 -23.69 60.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.433 ' N ' ' OD1' ' A' ' 80' ' ' ASN . . . -61.09 137.13 58.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -86.94 131.5 34.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.485 HG21 ' CZ ' ' A' ' 85' ' ' TYR . 47.2 mm -104.43 123.33 58.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -86.21 122.15 29.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.485 ' CZ ' HG21 ' A' ' 83' ' ' ILE . 45.2 m-85 -118.58 28.67 8.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.5 p -80.2 -51.01 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 t -117.73 -56.1 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -140.4 133.96 15.11 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 92.6 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -139.39 168.13 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.424 HG23 ' CZ ' ' A' ' 93' ' ' PHE . 68.4 mt -101.92 137.56 29.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.7 t -103.6 113.63 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.555 ' CD2' HD12 ' A' ' 25' ' ' LEU . 88.6 m-85 -103.57 176.76 5.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -159.87 126.3 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.557 HD12 ' CE3' ' A' ' 27' ' ' TRP . 16.1 mt -130.71 148.93 33.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -164.32 154.05 14.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.485 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . . . -107.04 132.95 52.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.441 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 28.9 tttm -94.34 119.4 33.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -109.86 -175.96 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.17 -30.34 16.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.9 mmtm -80.8 -56.62 4.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.44 -137.66 4.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 36.7 m-85 -104.55 120.87 42.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.39 . . . . 0.0 110.949 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -82.81 -149.44 8.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 128.6 16.23 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -96.82 130.02 44.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.43 HG21 ' N ' ' A' ' 108' ' ' GLN . 99.6 m -86.57 135.2 33.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.43 ' N ' HG21 ' A' ' 107' ' ' THR . 54.4 tt0 -103.52 139.13 39.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 19.6 tt -139.29 129.47 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -99.09 104.08 16.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.497 ' CZ3' HD12 ' A' ' 23' ' ' ILE . 17.2 t90 -87.41 113.74 23.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.0 mt -73.51 125.42 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.914 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.089 0 CA-C-O 120.834 0.264 . . . . 0.0 112.384 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.11 159.78 35.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.73 151.14 44.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.603 0.716 . . . . 0.0 111.112 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 149.87 67.6 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 m -136.35 168.57 19.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.6 m 53.16 50.35 17.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.2 t -80.01 133.22 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -123.29 144.75 49.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.445 HG22 ' CE2' ' A' ' 111' ' ' TRP . 55.7 mt -129.05 121.06 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -124.35 132.71 53.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -67.8 132.72 47.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -108.96 168.74 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.68 -38.24 44.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -100.52 18.07 20.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.94 -147.17 18.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 24' ' ' HIS . 63.5 mt -113.21 139.05 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 111.092 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.447 ' N ' HG22 ' A' ' 23' ' ' ILE . 2.4 t-80 -103.44 97.8 7.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 tp -87.82 117.29 26.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.4 p -124.04 155.48 38.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.5 p90 -160.9 163.39 31.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -99.86 151.25 37.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.635 0.731 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 152.44 68.96 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.653 2.235 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 115.39 4.08 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.71 2.274 . . . . 0.0 112.346 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.0 mm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.843 0.354 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.7 mt -64.65 -65.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -150.3 175.31 11.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -124.73 165.96 17.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.9 m -163.91 157.8 19.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -133.03 143.15 49.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -119.94 137.44 54.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.942 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.464 ' CB ' HG21 ' A' ' 63' ' ' ILE . 51.9 tp -101.92 130.7 48.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.37 99.44 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.427 HG21 ' CE ' ' A' ' 61' ' ' MET . 12.7 pt -107.92 174.4 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.1 p -97.7 147.73 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.517 ' CD2' ' HG3' ' A' ' 94' ' ' ARG . 13.7 m-85 -122.81 159.46 28.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.427 ' CE ' HG21 ' A' ' 46' ' ' ILE . 7.1 ptt? -150.28 143.51 24.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -58.81 131.35 50.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.464 HG21 ' CB ' ' A' ' 44' ' ' LEU . 11.0 pt -123.76 -2.2 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -156.52 133.76 10.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.8 m -125.74 106.28 9.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.46 -165.67 26.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.516 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.62 10.2 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.857 0.361 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -78.62 171.81 14.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.1 p -102.34 0.64 34.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.7 m -153.47 127.93 9.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 15.5 p -127.59 166.52 17.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.1 m -114.16 134.69 54.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.6 t -105.2 140.5 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.6 p -96.18 153.28 17.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.97 -46.71 84.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -41.85 -42.54 3.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -78.08 -41.9 33.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.432 HD13 ' CD1' ' A' ' 23' ' ' ILE . 21.1 mt -49.92 -40.49 43.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.22 -36.89 6.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -78.28 -25.13 46.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . -58.28 108.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -75.14 125.58 29.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.2 mt -92.82 125.85 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -75.57 95.18 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.405 ' CE1' ' HB3' ' A' ' 89' ' ' PRO . 39.0 m-85 -91.83 30.63 1.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.4 m -86.87 -64.93 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -100.88 -45.18 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -151.96 135.71 9.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.405 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.76 91.98 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.89 165.39 27.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 66.7 mt -100.57 129.35 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -92.3 117.82 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.466 ' HB2' ' CG2' ' A' ' 109' ' ' ILE . 16.5 m-85 -105.87 173.82 6.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.517 ' HG3' ' CD2' ' A' ' 60' ' ' PHE . 12.0 mmm-85 -147.18 127.89 14.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.415 HG13 ' C ' ' A' ' 94' ' ' ARG . 18.5 mt -142.62 139.97 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.8 t -164.04 164.58 22.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.827 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.17 142.73 32.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 62.9 tttt -100.3 126.33 46.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -103.14 175.83 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -41.01 -33.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -89.1 -51.67 5.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 163.88 -158.39 30.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 96.4 m-85 -79.21 144.85 34.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.379 . . . . 0.0 110.941 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -123.29 -98.22 1.34 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 125.05 11.71 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.8 138.68 48.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.4 m -107.88 138.1 44.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -110.53 132.51 54.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 13.6 tt -131.25 154.56 40.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -120.49 134.9 55.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.445 ' CE2' HG22 ' A' ' 16' ' ' ILE . 8.9 t90 -113.73 114.63 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.9 mt -81.99 103.64 11.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.105 0 CA-C-O 120.841 0.267 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.76 -179.56 2.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.48 143.98 27.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 133.75 26.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.0 t -117.54 172.81 7.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.3 m 63.9 48.3 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.8 t -80.07 109.95 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -106.08 133.78 50.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.6 mt -121.0 121.45 65.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.9 m -125.47 143.28 51.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -68.5 133.11 48.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -113.01 150.36 32.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.05 -27.53 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -94.85 -14.82 24.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.1 -108.49 0.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.47 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.459 ' CD1' HD11 ' A' ' 78' ' ' LEU . 61.3 mt -129.71 133.59 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 0.0 111.149 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -103.06 98.79 8.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 tp -86.17 137.85 32.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 m -153.02 142.59 21.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 48.2 p90 -149.18 172.71 14.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -111.21 150.1 41.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 160.61 49.07 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.396 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 132.56 23.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.725 2.283 . . . . 0.0 112.286 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mm . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.814 0.34 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.7 mt -38.49 -72.29 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -144.51 -175.45 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -120.92 167.54 12.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -156.7 133.27 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -114.67 143.38 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -128.59 159.1 36.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.493 HD13 ' CE1' ' A' ' 93' ' ' PHE . 16.1 tp -142.2 120.37 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.55 126.14 18.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.406 ' CG2' ' HG2' ' A' ' 61' ' ' MET . 14.0 pt -112.64 -176.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.0 t -94.76 120.42 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.568 ' CD2' ' HD2' ' A' ' 94' ' ' ARG . 77.3 m-85 -107.13 124.59 49.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.406 ' HG2' ' CG2' ' A' ' 46' ' ' ILE . 4.0 ptt? -120.01 145.07 47.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -65.87 129.64 40.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.8 pt -111.73 -30.31 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -125.04 137.23 54.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.2 p -124.32 124.37 42.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.22 -163.66 36.98 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.37 11.18 8.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.482 ' HD3' ' N ' ' A' ' 69' ' ' THR . 7.6 tmtm? -100.79 153.07 19.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.482 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 70.4 p -82.44 20.99 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 p -124.18 133.05 53.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -127.57 160.74 30.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.512 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 25.8 m -130.36 133.47 46.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.4 t -127.15 116.87 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.8 p -85.21 170.98 12.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.47 -60.69 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -40.39 -44.53 3.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -68.86 -44.65 72.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.854 0.359 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.459 HD11 ' CD1' ' A' ' 23' ' ' ILE . 20.0 mt -51.24 -41.8 60.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.41 -39.34 32.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -73.24 -21.51 60.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.9 116.15 3.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -72.81 120.58 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 76.9 mt -103.07 140.22 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 84' ' ' ASP . 4.0 t0 -97.57 95.04 7.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 86' ' ' THR . 37.2 m-85 -76.2 -32.18 58.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 85' ' ' TYR . 83.2 m -36.15 -62.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.2 p -89.81 -68.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.453 ' CG ' ' HD2' ' A' ' 89' ' ' PRO . 31.0 ttp180 -150.19 139.35 13.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.642 0.734 . . . . 0.0 110.831 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.453 ' HD2' ' CG ' ' A' ' 88' ' ' ARG . 52.9 Cg_endo -69.81 92.7 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.265 . . . . 0.0 112.3 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.8 152.39 49.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.565 HG21 ' CZ ' ' A' ' 93' ' ' PHE . 79.8 mt -86.53 116.23 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.05 104.23 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.565 ' CZ ' HG21 ' A' ' 91' ' ' ILE . 47.3 m-85 -98.46 174.99 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.568 ' HD2' ' CD2' ' A' ' 60' ' ' PHE . 16.7 mtt180 -150.88 130.06 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 mt -133.13 135.14 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.2 t -156.11 165.71 35.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.29 138.38 52.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.143 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 55.6 tttt -101.77 117.23 34.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -109.38 172.36 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -38.85 -36.17 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -77.03 -61.42 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 174.65 -166.0 37.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.503 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 15.9 m-85 -76.73 131.59 38.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.943 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -82.3 -158.2 22.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 132.26 23.04 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.262 . . . . 0.0 112.361 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -92.66 122.59 35.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 52.3 m -78.96 131.54 36.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -97.36 121.2 38.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.451 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 14.8 tt -126.4 133.12 69.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -108.95 114.98 29.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 24.6 t90 -103.58 102.82 12.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.0 mt -57.03 111.59 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.169 0 CA-C-O 120.862 0.276 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.07 139.29 5.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.73 157.5 87.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 0.0 111.053 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 150.62 68.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 t -117.76 169.17 9.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m 49.62 51.67 16.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.16 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.409 HG23 ' CB ' ' A' ' 27' ' ' TRP . 90.2 t -91.09 108.86 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -122.27 155.61 35.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.471 HG22 ' CE2' ' A' ' 111' ' ' TRP . 77.0 mt -122.07 121.16 63.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.6 t -111.66 143.8 41.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -80.39 115.68 20.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -92.77 162.59 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 m -69.9 -15.4 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -101.16 -23.98 14.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.67 -103.32 0.19 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.8 mt -129.55 144.59 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 111.169 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -118.67 98.97 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tp -86.16 120.04 27.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 m -130.47 155.6 46.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.409 ' CB ' HG23 ' A' ' 14' ' ' VAL . 49.4 p90 -158.46 -179.26 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -128.16 153.39 78.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.667 0.746 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 146.57 60.23 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.25 . . . . 0.0 112.352 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 118.08 5.47 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.709 2.272 . . . . 0.0 112.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.3 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.817 0.341 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.3 mt -91.65 169.23 10.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -43.45 155.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -98.87 164.47 12.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 t -151.16 121.35 7.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.803 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -100.03 146.7 26.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 3.9 m-85 -132.3 163.55 28.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.545 HD13 ' CE1' ' A' ' 93' ' ' PHE . 49.0 tp -137.67 131.33 31.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.93 117.95 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.4 ' CD1' ' HG2' ' A' ' 61' ' ' MET . 8.5 pt -126.99 -175.61 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.99 117.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -90.99 141.27 29.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.4 ' HG2' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -125.32 141.55 52.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -54.26 136.67 42.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.0 pt -126.63 -11.17 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.423 ' CD2' ' HB2' ' A' ' 71' ' ' CYS . 3.3 t80 -155.29 139.26 16.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.0 p -125.92 114.0 17.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.04 161.52 25.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -85.09 -8.42 58.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -68.04 148.59 50.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.9 p -89.52 36.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -165.9 156.31 12.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.423 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 18.2 p -155.79 171.98 19.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.8 m -122.98 130.79 53.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.4 t -115.51 106.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.6 p -71.06 172.21 9.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.68 -48.15 82.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -43.2 -45.95 6.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -65.18 -40.81 94.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.71 -28.74 66.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.5 -28.19 68.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -92.78 -12.96 29.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.18 128.91 38.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -86.94 137.98 31.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 98.2 mt -109.83 136.62 45.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -87.06 100.13 12.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 89' ' ' PRO . 33.8 m-85 -99.12 35.34 1.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.8 p -94.72 -52.21 4.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.3 m -119.09 -45.32 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -148.95 128.38 6.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.41 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.75 91.21 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.242 . . . . 0.0 112.381 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.69 146.92 36.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.554 HG23 ' CE2' ' A' ' 93' ' ' PHE . 15.7 mt -86.27 134.88 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.468 ' N ' HG21 ' A' ' 91' ' ' ILE . 89.9 t -102.21 142.01 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.554 ' CE2' HG23 ' A' ' 91' ' ' ILE . 30.0 m-85 -132.17 170.81 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 94' ' ' ARG . 0.5 OUTLIER -145.41 141.26 28.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 47.7 mt -146.9 126.67 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.0 173.42 14.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.57 ' C ' ' CD2' ' A' ' 103' ' ' TYR . . . -125.35 149.12 48.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 103' ' ' TYR . 18.4 ttmt -86.59 137.26 32.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 99' ' ' ASN . 18.7 t-20 -88.64 -74.55 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -129.15 -49.71 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.45 -29.28 5.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -150.02 -173.36 20.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.57 ' CD2' ' C ' ' A' ' 97' ' ' ALA . 1.8 m-85 -98.38 177.27 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.936 0.398 . . . . 0.0 110.897 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -115.45 -119.32 3.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 127.2 14.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.638 2.225 . . . . 0.0 112.335 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.98 123.72 44.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.084 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.48 151.42 39.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -129.91 111.44 12.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.9 tt -112.79 153.86 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -122.46 112.68 18.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.471 ' CE2' HG22 ' A' ' 16' ' ' ILE . 6.2 t90 -97.73 84.79 3.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.9 mt -59.41 97.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 89' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.422 ' O ' ' CG ' ' A' ' 105' ' ' PRO . 53.5 Cg_endo . . . . . 0 C--O 1.23 0.118 0 CA-C-O 120.842 0.267 . . . . 0.0 112.367 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.22 134.77 12.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.39 150.31 82.39 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.582 0.706 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.476 ' HB3' ' CD1' ' A' ' 27' ' ' TRP . 53.8 Cg_endo -69.71 128.12 15.62 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.362 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.9 t -110.37 170.56 8.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 m 56.44 48.19 17.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -80.02 120.46 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -121.81 142.59 50.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.8 mt -118.65 119.79 62.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 t -113.35 138.15 50.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -77.04 116.71 17.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -101.03 157.18 16.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -61.7 -25.66 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -90.39 -18.36 25.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.97 -111.89 0.5 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.406 HD12 ' CD2' ' A' ' 78' ' ' LEU . 64.8 mt -129.66 133.76 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 111.124 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -108.46 99.87 9.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tp -79.04 131.55 36.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.0 m -141.2 149.56 41.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.476 ' CD1' ' HB3' ' A' ' 11' ' ' PRO . 47.5 p90 -155.58 169.74 23.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -110.7 148.23 38.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 157.08 61.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 151.84 69.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.3 mm . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.849 0.357 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.4 mt -44.21 -60.34 1.95 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -150.71 174.18 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -123.86 165.47 17.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -157.94 139.39 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.533 ' C ' ' CD1' ' A' ' 43' ' ' TYR . . . -112.45 156.76 22.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.07 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.533 ' CD1' ' C ' ' A' ' 42' ' ' ALA . 1.6 m-85 -143.94 151.81 40.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.966 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.621 ' CD1' ' CE1' ' A' ' 93' ' ' PHE . 13.5 tp -128.99 130.31 46.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.47 135.31 55.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.11 178.09 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.4 p -80.79 119.68 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.409 ' CE2' ' CG ' ' A' ' 94' ' ' ARG . 52.8 m-85 -104.99 115.18 29.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -94.25 137.97 32.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -63.05 135.86 57.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.3 pt -125.53 -4.26 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -149.33 133.6 17.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.4 p -125.86 109.58 12.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.06 -178.61 48.84 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -105.55 -8.26 18.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.93 0.395 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -68.27 147.22 52.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.7 p -94.28 36.23 1.15 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.8 p -163.78 125.24 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.5 p -133.04 171.15 14.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.0 m -124.96 130.79 53.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.8 t -104.39 117.65 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 64.9 p -77.1 164.54 25.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.67 98.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.63 -36.79 25.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -80.3 -38.88 29.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.406 ' CD2' HD12 ' A' ' 23' ' ' ILE . 37.6 mt -56.02 -39.42 71.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.63 -38.16 59.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -80.65 -15.73 55.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.11 114.4 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.064 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -78.65 119.29 21.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.7 mt -90.89 128.67 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -73.37 113.53 10.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -107.46 31.49 5.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.7 t -102.35 -28.6 12.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.193 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 m -132.59 -48.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.8 mtm-85 -152.52 127.92 4.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.582 0.706 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 81.77 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.67 2.247 . . . . 0.0 112.319 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.95 166.24 24.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.437 HG23 ' CE2' ' A' ' 93' ' ' PHE . 80.0 mt -86.13 120.34 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 97.8 t -92.89 124.58 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.621 ' CE1' ' CD1' ' A' ' 44' ' ' LEU . 36.8 m-85 -114.9 166.05 12.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.409 ' CG ' ' CE2' ' A' ' 60' ' ' PHE . 21.1 mmt180 -142.43 119.77 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.415 ' CG2' ' HG3' ' A' ' 11' ' ' PRO . 16.4 mt -128.61 144.45 37.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.1 t -156.14 174.21 15.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.79 158.8 18.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.549 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 19.8 tttp -111.05 132.45 54.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 100' ' ' GLU . 39.7 m-20 -122.59 166.12 15.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' ASN . 22.5 tt0 -36.44 -38.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 102' ' ' GLY . 1.0 OUTLIER -85.22 -52.66 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' A' ' 101' ' ' LYS . . . 161.95 -159.57 31.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.549 ' CE1' ' HG3' ' A' ' 98' ' ' LYS . 88.0 m-85 -85.11 158.03 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.944 0.402 . . . . 0.0 110.955 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -143.17 -95.06 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.422 ' CG ' ' O ' ' A' ' 8' ' ' PRO . 54.5 Cg_endo -69.68 125.4 12.14 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.68 2.253 . . . . 0.0 112.39 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.07 158.35 21.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.13 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.1 m -118.45 132.74 56.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -113.12 130.56 56.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.41 ' CG1' ' N ' ' A' ' 110' ' ' ARG . 16.0 tt -121.16 162.86 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.41 ' N ' ' CG1' ' A' ' 109' ' ' ILE . 52.2 mtt180 -129.9 104.74 7.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -101.2 104.4 15.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.0 123.11 22.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.12 0 CA-C-O 120.862 0.276 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.57 -167.38 39.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.456 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.04 155.88 36.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 111.137 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 124.22 10.88 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -110.13 159.97 16.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 m 63.89 44.83 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.4 t -83.37 105.59 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -106.6 150.14 26.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.413 HD12 ' CD1' ' A' ' 111' ' ' TRP . 55.7 mt -132.1 134.26 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -135.02 124.22 24.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -68.98 126.06 28.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -107.87 164.85 11.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.0 t -61.65 -41.79 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -71.41 -29.0 64.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.72 -117.83 0.68 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.465 HD12 ' CZ3' ' A' ' 111' ' ' TRP . 65.6 mt -125.59 143.11 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -111.4 114.15 27.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tp -104.78 124.55 49.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.4 p -131.75 146.78 52.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.462 ' NE1' ' HA ' ' A' ' 69' ' ' THR . 49.4 p90 -147.25 -176.24 5.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -147.75 155.03 44.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 157.42 60.47 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -49.54 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.502 HG21 ' CE1' ' A' ' 40' ' ' TYR . 83.3 mt . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.818 0.342 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 37' ' ' ILE . 84.6 mt -34.36 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -146.48 156.79 43.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.502 ' CE1' HG21 ' A' ' 37' ' ' ILE . 5.5 m-85 -97.61 169.04 9.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.2 t -143.29 136.07 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.75 110.49 16.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -96.56 152.6 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 45' ' ' ALA . 8.9 tp -134.44 106.4 7.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 44' ' ' LEU . . . -35.98 132.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.4 pt -126.34 139.18 52.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.408 ' N ' ' HB2' ' A' ' 82' ' ' HIS . 5.1 tmm_? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.846 0.355 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 60' ' ' PHE . 92.2 t -85.34 135.53 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.423 ' N ' HG13 ' A' ' 59' ' ' VAL . 44.5 m-85 -116.48 141.38 48.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -128.82 153.29 47.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -76.33 127.05 32.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 64' ' ' TYR . 43.1 pt -111.92 -36.14 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.451 ' N ' HG13 ' A' ' 63' ' ' ILE . 11.9 t80 -125.13 135.25 52.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.4 p -127.93 121.68 30.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 168.25 -170.82 42.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.65 18.18 8.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' SER . 20.9 tptt -77.17 8.38 4.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.462 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 3.4 p 41.61 24.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' LYS . 87.3 p -171.76 144.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.435 ' HB3' ' CD2' ' A' ' 64' ' ' TYR . 15.2 p -150.63 172.01 16.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.8 m -124.75 131.75 53.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.103 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.4 t -107.06 135.73 44.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.0 p -98.15 171.9 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -59.53 -54.33 47.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.057 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.15 -57.07 1.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -66.62 -43.1 85.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.949 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.402 HD11 ' CD1' ' A' ' 23' ' ' ILE . 13.6 mt -47.48 -44.9 25.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.89 -39.39 18.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -71.71 -26.66 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.45 141.27 43.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 2.5 t60 -93.3 116.18 28.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.46 HG23 ' CZ ' ' A' ' 85' ' ' TYR . 86.6 mt -94.01 126.22 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -86.02 120.99 28.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.46 ' CZ ' HG23 ' A' ' 83' ' ' ILE . 55.5 m-85 -114.09 40.19 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.1 m -87.37 -58.9 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.8 p -113.8 -45.45 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -147.19 132.68 9.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.447 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.81 97.31 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.9 155.53 45.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.566 HG22 ' CE2' ' A' ' 93' ' ' PHE . 72.7 mt -88.3 139.25 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.447 ' N ' HG23 ' A' ' 91' ' ' ILE . 90.3 t -95.17 140.87 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.566 ' CE2' HG22 ' A' ' 91' ' ' ILE . 48.3 m-85 -139.07 146.84 41.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -131.41 135.89 47.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 32.1 mt -140.9 143.12 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.8 p -152.65 174.96 13.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -127.11 131.37 50.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -111.51 131.96 54.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -102.01 -71.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -130.97 -59.0 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -65.9 -58.95 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -175.48 -156.05 13.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -93.2 146.62 23.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.922 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.09 -133.71 2.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 133.66 26.11 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.704 2.269 . . . . 0.0 112.383 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.93 122.63 43.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.439 HG21 ' N ' ' A' ' 108' ' ' GLN . 89.3 m -84.98 137.17 33.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.439 ' N ' HG21 ' A' ' 107' ' ' THR . 33.1 tt0 -109.86 118.38 36.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.4 tt -119.51 141.46 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -109.57 93.87 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.465 ' CZ3' HD12 ' A' ' 23' ' ' ILE . 22.8 t90 -75.71 118.13 18.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.2 mt -74.93 121.05 21.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.916 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.114 0 CA-C-O 120.88 0.283 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.55 152.88 0.32 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.88 152.29 50.95 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.592 0.71 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 153.53 68.82 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.0 m -135.83 158.92 43.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 m 70.24 45.06 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.6 t -74.21 130.58 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -132.38 131.44 41.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.8 mt -114.45 132.85 62.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.1 m -123.49 127.55 48.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -67.64 127.07 31.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -111.96 145.24 39.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.7 t -51.45 -40.55 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -72.52 -29.83 63.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.63 -121.41 0.87 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.475 HD11 ' CD1' ' A' ' 78' ' ' LEU . 79.7 mt -118.4 141.47 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.468 ' N ' HG22 ' A' ' 23' ' ' ILE . 57.1 t-80 -118.26 102.82 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.33 141.56 28.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -150.25 161.54 42.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.481 ' CE2' ' HA ' ' A' ' 69' ' ' THR . 41.5 p90 -170.97 171.57 5.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -117.42 149.98 45.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.602 0.715 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 159.95 51.52 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.663 2.242 . . . . 0.0 112.364 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 159.36 53.67 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.323 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.5 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.86 0.362 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.3 mt -52.84 -66.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -148.68 166.78 27.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -103.96 164.77 11.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 t -143.88 149.02 36.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.25 115.87 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -103.03 145.67 29.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.546 HD13 ' CE1' ' A' ' 93' ' ' PHE . 11.1 tp -129.91 115.7 17.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.48 ' HB2' ' CE1' ' A' ' 82' ' ' HIS . . . -55.44 135.14 50.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -121.71 152.04 25.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.573 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 15.2 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.819 0.342 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.8 t -80.0 136.52 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CE1' ' O ' ' A' ' 58' ' ' LEU . 19.9 m-85 -118.62 140.81 49.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -106.46 145.56 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -73.41 120.32 18.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 64' ' ' TYR . 41.6 pt -107.26 -37.8 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.531 ' CD1' ' SG ' ' A' ' 71' ' ' CYS . 1.7 t80 -130.0 137.72 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.3 t -129.11 106.87 9.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.31 159.26 22.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.479 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.16 21.84 5.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.903 0.382 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -75.53 7.3 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.481 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 25.4 p 43.78 26.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.1 m -159.31 155.45 26.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.531 ' SG ' ' CD1' ' A' ' 64' ' ' TYR . 68.5 m -144.3 169.86 17.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.6 m -135.91 123.82 22.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.7 t -124.21 121.4 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 48.0 p -101.78 175.1 5.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -47.12 -54.46 10.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.69 -62.62 0.79 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -66.87 -45.84 76.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.475 ' CD1' HD11 ' A' ' 23' ' ' ILE . 23.7 mt -44.83 -45.26 10.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.0 -39.56 20.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -72.44 -28.84 63.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.03 137.01 48.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.557 ' CD2' ' OD1' ' A' ' 84' ' ' ASP . 7.4 p-80 -81.08 146.33 30.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 50.1 mm -108.6 106.45 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.557 ' OD1' ' CD2' ' A' ' 82' ' ' HIS . 7.1 m-20 -74.2 97.65 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 87' ' ' SER . 33.5 m-85 -83.94 20.87 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.964 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.6 m -59.13 78.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 85' ' ' TYR . 1.1 t 53.59 25.04 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.413 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 34.9 ttm180 -178.98 104.99 0.2 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.708 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.4 Cg_endo -69.79 94.79 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.419 ' HB1' ' C ' ' A' ' 111' ' ' TRP . . . -142.22 173.19 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.48 HG23 ' CE2' ' A' ' 93' ' ' PHE . 75.3 mt -111.97 133.7 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.5 t -90.88 121.08 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.546 ' CE1' HD13 ' A' ' 44' ' ' LEU . 54.6 m-85 -117.67 155.67 29.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.433 ' HD2' ' CD1' ' A' ' 60' ' ' PHE . 9.7 ttt180 -133.16 136.93 46.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.43 HG13 ' C ' ' A' ' 94' ' ' ARG . 30.3 mt -143.13 134.08 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.5 t -148.48 165.13 32.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.24 140.07 38.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 39.4 tttp -98.32 130.82 44.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.444 ' ND2' ' HB2' ' A' ' 101' ' ' LYS . 16.0 p-10 -127.37 169.03 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' ASN . 15.6 mt-10 -37.73 -40.03 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.444 ' HB2' ' ND2' ' A' ' 99' ' ' ASN . 0.5 OUTLIER -68.16 -63.12 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 176.96 -97.04 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 25.3 m-85 -141.33 122.46 14.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.391 . . . . 0.0 110.938 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.38 -151.67 3.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 127.53 14.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -89.28 153.82 20.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.067 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.3 m -116.62 135.55 53.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.4 ' NE2' HH11 ' A' ' 110' ' ' ARG . 0.2 OUTLIER -107.21 145.97 31.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.1 tt -145.12 144.4 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.4 HH11 ' NE2' ' A' ' 108' ' ' GLN . 0.8 OUTLIER -106.99 117.14 33.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.419 ' C ' ' HB1' ' A' ' 90' ' ' ALA . 26.3 t90 -107.87 98.28 7.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mt -44.55 126.27 5.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.449 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 53.9 Cg_endo . . . . . 0 N--CA 1.467 -0.085 0 CA-C-O 120.871 0.279 . . . . 0.0 112.355 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -41.2 148.02 0.31 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.5 147.22 87.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.621 0.724 . . . . 0.0 111.081 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 153.72 68.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.2 t -128.33 160.03 33.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.5 m 71.44 44.38 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.99 108.43 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -107.27 142.67 36.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.448 HG21 ' N ' ' A' ' 17' ' ' SER . 79.1 mt -125.93 143.33 39.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.448 ' N ' HG21 ' A' ' 16' ' ' ILE . 57.5 m -150.26 119.11 6.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -66.42 131.13 45.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -113.59 169.09 9.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.432 HG21 ' N ' ' A' ' 21' ' ' ASP . 24.5 m -62.68 -29.87 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.432 ' N ' HG21 ' A' ' 20' ' ' VAL . 1.7 m-20 -83.18 -28.59 29.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.24 -113.53 0.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 54.9 mt -122.15 139.84 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.113 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -112.73 96.98 6.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.402 ' CD1' HG12 ' A' ' 16' ' ' ILE . 1.7 tp -89.33 151.03 22.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.7 t -154.28 162.65 41.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 43.5 p90 -167.94 163.27 13.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -106.22 147.94 35.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.648 0.737 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 153.09 69.38 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.736 2.29 . . . . 0.0 112.326 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 98.49 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.709 2.272 . . . . 0.0 112.365 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 38' ' ' LEU . 50.2 mm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.867 0.365 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 37' ' ' ILE . 76.2 mt -34.12 -56.27 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -169.52 176.47 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -111.83 167.96 9.95 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -158.05 145.76 18.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.58 131.23 52.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -115.45 146.36 41.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.575 HD13 ' CE1' ' A' ' 93' ' ' PHE . 37.0 tp -122.81 110.23 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.77 124.04 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.036 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.7 pt -123.84 139.54 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.469 ' N ' ' HB2' ' A' ' 82' ' ' HIS . 12.2 ptm180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.4 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.809 0.337 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.3 t -119.97 98.82 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.532 ' CE2' ' HG3' ' A' ' 94' ' ' ARG . 19.8 m-85 -94.12 157.61 16.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -142.59 144.21 32.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -65.25 121.52 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 64' ' ' TYR . 32.6 pt -106.41 -35.48 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.454 ' N ' HG13 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -125.15 147.5 49.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.5 p -129.02 123.42 32.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.16 176.42 40.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.25 15.32 26.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -79.27 160.73 26.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.3 p -103.39 12.99 34.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.8 m -161.87 123.75 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 23.5 p -124.38 172.26 9.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.6 m -122.91 127.32 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.193 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 91.5 t -102.1 136.38 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.5 p -95.0 166.16 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -63.48 -52.02 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.78 -42.28 0.49 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -76.48 -45.08 32.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.9 mt -43.42 -44.09 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.76 -43.48 48.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -72.61 -26.42 61.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.35 144.82 45.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.469 ' HB2' ' N ' ' A' ' 47' ' ' ARG . 10.9 t60 -84.9 145.08 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.1 mm -113.47 100.08 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -74.64 98.27 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.55 ' O ' ' N ' ' A' ' 87' ' ' SER . 32.6 m-85 -83.19 18.98 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 66.0 m -56.24 77.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 85' ' ' TYR . 16.4 m 53.21 25.0 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.459 ' HG2' ' CD2' ' A' ' 112' ' ' LEU . 22.2 ttt180 -178.31 105.01 0.21 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.613 0.721 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.8 Cg_endo -69.74 96.03 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.638 2.225 . . . . 0.0 112.347 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.13 168.42 19.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 71.0 mt -103.84 132.47 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.501 HG12 ' CZ ' ' A' ' 60' ' ' PHE . 66.7 t -88.1 139.32 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.575 ' CE1' HD13 ' A' ' 44' ' ' LEU . 26.7 m-85 -136.93 166.72 22.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.532 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 45.4 mtt-85 -158.09 126.53 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.7 mt -125.98 137.05 58.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 t -145.79 164.59 31.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.449 ' O ' ' CG ' ' A' ' 8' ' ' PRO . . . -123.79 166.17 16.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -109.99 141.55 42.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -117.08 -71.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -134.88 -59.21 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -80.91 -52.21 7.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -169.98 -129.77 1.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 97' ' ' ALA . 27.7 m-85 -113.54 156.61 23.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.912 0.387 . . . . 0.0 110.946 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.93 -112.62 2.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 131.61 21.54 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.254 . . . . 0.0 112.342 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.76 132.59 52.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.7 m -82.45 113.35 20.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -95.03 148.46 22.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.2 tt -159.6 148.97 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -119.31 105.04 10.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -87.37 108.39 18.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 88' ' ' ARG . 14.3 mt -61.08 111.81 1.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.938 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.159 0 CA-C-O 120.812 0.255 . . . . 0.0 112.387 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.45 143.63 17.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.57 153.07 85.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 135.58 30.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -115.71 172.58 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 m 47.83 51.55 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -79.81 121.12 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.68 148.9 29.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.3 mt -134.55 125.89 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -137.59 117.31 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -65.52 134.5 53.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.956 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -105.0 161.78 13.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.3 t -60.63 -9.99 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -108.07 -1.78 20.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.93 -120.3 1.3 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.6 mt -123.63 143.92 35.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.89 0.376 . . . . 0.0 111.109 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -124.57 105.58 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 tp -86.59 130.01 34.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.7 p -134.33 160.45 37.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 26.5 p90 -169.82 175.62 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -119.93 148.7 47.2 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.45 48.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.727 2.285 . . . . 0.0 112.357 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 147.93 64.38 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.4 mm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.9 mt -43.86 -56.51 3.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -152.84 178.74 9.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -129.04 166.68 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.6 p -163.68 147.88 10.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -116.2 162.34 17.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -143.68 159.85 41.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.464 HD23 ' CB ' ' A' ' 81' ' ' ALA . 12.7 tp -146.78 136.66 23.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -78.41 127.13 31.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.72 147.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.6 ptt85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.868 0.366 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.1 t -106.94 118.0 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.466 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 27.4 m-85 -102.34 135.78 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -114.74 149.44 36.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -71.15 112.75 7.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.2 pt -101.09 -12.41 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.443 ' CD2' ' HB2' ' A' ' 71' ' ' CYS . 18.8 t80 -149.48 132.29 16.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.5 t -128.49 102.63 6.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -172.08 166.63 39.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.44 -28.4 28.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.99 140.43 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.2 p -88.84 40.84 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 92.1 p -169.05 128.04 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.443 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 19.7 p -129.62 171.53 12.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.0 m -126.74 137.45 53.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.3 t -112.37 121.11 64.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.2 p -82.68 152.63 25.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -46.78 -54.42 9.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.06 -37.01 7.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -72.05 -47.13 53.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 110.933 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.0 mt -52.29 -43.59 64.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.89 -38.69 10.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -73.07 -26.35 61.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.464 ' CB ' HD23 ' A' ' 44' ' ' LEU . . . -65.68 143.07 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -94.64 146.59 24.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.9 mt -113.47 117.72 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -72.8 114.93 11.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -106.33 38.12 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.5 m -90.23 -58.32 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.0 t -121.26 -48.02 2.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.467 ' NE ' HD11 ' A' ' 112' ' ' LEU . 2.6 ttt85 -139.2 123.99 11.55 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 83.87 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.412 ' HB1' ' C ' ' A' ' 111' ' ' TRP . . . -128.09 164.64 21.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.092 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 88.2 mt -89.85 131.7 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.0 t -90.62 106.19 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -101.12 160.46 14.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.42 ' HG3' ' CD2' ' A' ' 60' ' ' PHE . 24.5 mmt180 -140.06 125.53 19.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.5 mt -135.97 141.73 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.7 t -142.95 -178.09 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -132.32 138.67 47.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -84.36 142.42 30.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -112.17 -61.38 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -123.73 -64.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -124.01 -23.99 4.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.33 -169.79 12.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -114.97 161.34 18.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.949 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.408 ' HA3' ' HD2' ' A' ' 105' ' ' PRO . . . -86.15 -141.92 6.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.408 ' HD2' ' HA3' ' A' ' 104' ' ' GLY . 53.4 Cg_endo -69.81 140.35 42.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 2.249 . . . . 0.0 112.306 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.66 125.17 45.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 99.0 m -79.33 137.37 37.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.185 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -109.69 118.61 37.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.1 tt -118.22 154.35 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -122.28 98.91 6.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.412 ' C ' ' HB1' ' A' ' 90' ' ' ALA . 34.1 t90 -91.64 117.03 29.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.467 HD11 ' NE ' ' A' ' 88' ' ' ARG . 0.5 OUTLIER -53.75 101.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.951 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.447 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.81 0.254 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.11 162.22 12.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.15 145.57 36.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.556 0.693 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 144.46 53.82 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.72 2.28 . . . . 0.0 112.299 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.4 p -132.18 166.85 20.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.9 m 65.62 40.1 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 15' ' ' ARG . 99.0 t -70.93 134.91 29.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.426 ' N ' HG13 ' A' ' 14' ' ' VAL . 44.9 mtp180 -130.71 141.76 50.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.7 mt -128.73 120.91 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 t -118.33 155.07 31.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.3 127.2 32.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -105.04 147.98 27.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.6 t -54.59 -39.16 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -79.77 -28.04 40.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.43 -101.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.494 HD12 ' CZ3' ' A' ' 111' ' ' TRP . 58.8 mt -126.4 140.07 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 111.089 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -110.97 100.61 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tp -85.04 141.03 30.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -147.49 162.49 38.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.4 p90 -165.8 177.59 7.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -125.37 154.85 72.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.674 0.749 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 148.34 64.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 148.03 64.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.385 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 -179.921 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.4 mm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.849 0.357 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 39' ' ' GLU . 11.6 mt -76.27 175.77 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' LEU . 8.0 mp0 -37.19 153.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -95.49 169.02 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 t -135.79 123.43 22.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.816 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.2 120.12 41.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -109.47 163.69 13.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.511 HD13 ' CE1' ' A' ' 93' ' ' PHE . 10.4 tp -145.21 119.37 9.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.583 ' CB ' ' CE2' ' A' ' 60' ' ' PHE . . . -54.2 128.9 32.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.9 pp -140.2 176.9 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.888 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.1 t -84.16 113.91 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.583 ' CE2' ' CB ' ' A' ' 45' ' ' ALA . 5.0 m-85 -95.4 155.73 16.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.79 127.59 37.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.407 ' C ' ' HD2' ' A' ' 62' ' ' ARG . 7.4 tmm_? -49.92 126.53 14.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 64' ' ' TYR . 25.7 pt -108.61 -33.15 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.453 ' N ' HG13 ' A' ' 63' ' ' ILE . 9.8 t80 -137.22 136.07 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 16.2 p -127.9 88.2 2.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.426 ' N ' ' CE1' ' A' ' 64' ' ' TYR . . . -150.22 167.41 30.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.487 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' A' ' 68' ' ' LYS . 1.3 pt? -84.8 -34.73 22.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.446 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -45.32 148.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.842 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.8 p -92.05 39.21 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -158.58 125.01 4.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 72' ' ' THR . 0.5 OUTLIER -121.38 161.0 22.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.517 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 50.7 m -126.83 144.11 51.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.447 HG11 ' N ' ' A' ' 74' ' ' THR . 54.5 t -128.02 140.38 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.447 ' N ' HG11 ' A' ' 73' ' ' VAL . 61.8 p -111.11 169.5 8.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.94 -51.12 71.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.87 -40.52 1.08 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -85.49 -48.63 8.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' ALA . 19.8 mt -41.11 -52.72 3.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.36 -39.66 7.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -71.06 -27.87 63.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . -61.22 133.78 56.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -72.63 104.75 4.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.4 mm -76.8 104.29 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.57 94.85 2.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.463 ' O ' ' N ' ' A' ' 87' ' ' SER . 14.2 m-85 -81.36 10.36 5.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 60.8 p -52.07 86.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' TYR . 17.0 m 44.6 24.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.455 ' CG ' HD22 ' A' ' 112' ' ' LEU . 20.1 ttm180 -178.37 105.02 0.21 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.725 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 90.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.73 172.09 13.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 84.8 mt -114.99 142.16 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 76.7 t -102.3 121.38 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.511 ' CE1' HD13 ' A' ' 44' ' ' LEU . 56.4 m-85 -112.01 166.74 10.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.468 ' HG3' ' CD2' ' A' ' 60' ' ' PHE . 15.7 mmt180 -141.34 136.05 31.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.413 HG13 ' C ' ' A' ' 94' ' ' ARG . 35.1 mt -142.92 134.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.4 m -150.02 162.04 41.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.32 155.65 18.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.091 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.526 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 23.1 tttp -118.12 127.06 53.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.447 ' ND2' ' HB3' ' A' ' 8' ' ' PRO . 11.9 m-20 -121.12 169.4 10.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 99' ' ' ASN . 5.4 mm-40 -36.79 -40.65 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -72.2 -62.4 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 171.71 -117.19 0.66 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.526 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 73.4 m-85 -126.12 135.63 51.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.385 . . . . 0.0 110.926 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -104.32 -121.42 4.92 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 136.15 32.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -101.4 145.16 29.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 62.8 m -109.91 133.97 52.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -116.51 155.5 28.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.3 tt -154.69 149.44 12.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 43.5 mtm-85 -112.39 131.38 55.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.494 ' CZ3' HD12 ' A' ' 23' ' ' ILE . 40.9 t90 -126.09 100.89 6.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.455 HD22 ' CG ' ' A' ' 88' ' ' ARG . 7.1 mt -52.04 128.32 24.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.943 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.125 0 CA-C-O 120.843 0.268 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.93 164.72 12.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.47 154.52 37.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 121.11 7.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.258 . . . . 0.0 112.313 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 t -106.62 164.38 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.7 m 66.17 38.45 4.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.3 t -79.0 110.27 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -119.43 133.14 55.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.518 HG22 ' CE2' ' A' ' 111' ' ' TRP . 66.7 mt -112.78 123.23 68.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.5 m -117.07 124.78 50.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -69.63 119.98 14.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -101.24 149.31 24.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -53.14 -38.91 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -75.48 -29.91 59.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.85 -127.36 1.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.441 HG21 ' N ' ' A' ' 24' ' ' HIS . 57.2 mt -116.32 138.41 46.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 111.186 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.441 ' N ' HG21 ' A' ' 23' ' ' ILE . 28.7 t-80 -115.64 100.22 7.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tp -83.86 141.9 30.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 m -151.62 157.51 42.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.512 ' CE2' ' HA ' ' A' ' 69' ' ' THR . 49.1 p90 -164.32 178.22 7.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -129.69 155.86 79.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.5 69.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.707 2.272 . . . . 0.0 112.376 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 31' ' ' THR . 53.3 Cg_endo -69.76 -162.72 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.49 HG21 ' CE1' ' A' ' 40' ' ' TYR . 25.3 mm . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.851 0.358 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.8 mt -80.68 -55.95 4.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -168.16 166.39 12.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.49 ' CE1' HG21 ' A' ' 37' ' ' ILE . 82.7 m-85 -114.91 167.67 10.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.9 p -162.77 144.74 10.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.51 140.11 39.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -121.2 162.89 19.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.0 tp -147.4 119.58 8.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.568 ' HB1' ' CZ ' ' A' ' 60' ' ' PHE . . . -60.6 120.45 10.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.43 HD13 ' C ' ' A' ' 46' ' ' ILE . 2.4 pp -138.91 140.89 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.923 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.899 0.381 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.6 m -78.74 144.73 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.568 ' CZ ' ' HB1' ' A' ' 45' ' ' ALA . 4.0 m-85 -123.42 145.25 48.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.474 ' CE ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -123.35 140.34 53.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -62.78 126.94 29.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.474 HG22 ' CE ' ' A' ' 61' ' ' MET . 40.8 pt -104.72 -35.99 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.525 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -143.92 145.56 32.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.2 p -129.04 123.92 33.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.59 164.19 20.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.79 18.47 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 70' ' ' SER . 35.2 tttt -74.99 5.48 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.512 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 63.6 p 38.27 26.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 68' ' ' LYS . 1.0 OUTLIER -166.84 153.82 8.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.875 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 19.6 p -158.45 172.07 19.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.9 m -127.25 124.23 38.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.2 t -110.18 123.42 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.9 p -98.65 170.94 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -46.86 -51.35 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.59 -66.37 0.39 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.468 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -61.4 -43.32 99.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.921 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.1 mt -49.27 -44.3 43.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.02 -38.88 18.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.042 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.42 ' C ' HG21 ' A' ' 46' ' ' ILE . 64.1 m-20 -72.64 -25.8 61.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.18 142.3 47.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -106.29 109.1 20.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.3 133.81 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.07 99.61 6.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -93.14 42.96 1.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.4 p -98.86 -48.67 4.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.2 m -129.75 -48.06 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.471 ' HG2' ' CD2' ' A' ' 112' ' ' LEU . 13.6 ttm180 -138.84 121.64 10.68 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.59 0.709 . . . . 0.0 110.841 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 93.54 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -139.89 157.6 45.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.563 HG22 ' CE2' ' A' ' 93' ' ' PHE . 75.1 mt -91.79 126.34 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.1 t -94.59 121.75 45.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.563 ' CE2' HG22 ' A' ' 91' ' ' ILE . 63.6 m-85 -108.86 171.42 7.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.536 ' HG3' ' CD2' ' A' ' 60' ' ' PHE . 12.8 mmt85 -149.41 125.84 10.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 25.6 mt -134.29 138.2 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.71 170.99 17.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.63 141.31 51.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -84.22 143.87 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -110.67 -70.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -126.26 -63.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -92.01 -45.69 8.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -153.96 -150.17 5.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -100.12 168.2 9.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 110.938 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.09 -106.25 2.51 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 126.21 13.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.357 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -104.03 131.42 51.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.401 HG21 ' N ' ' A' ' 108' ' ' GLN . 92.1 m -87.03 134.83 33.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.401 ' N ' HG21 ' A' ' 107' ' ' THR . 64.8 tt0 -110.62 110.84 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 13.9 tt -115.43 136.35 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -105.35 107.47 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.518 ' CE2' HG22 ' A' ' 16' ' ' ILE . 11.1 t90 -100.64 105.39 16.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 88' ' ' ARG . 80.5 mt -58.7 105.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.136 0 CA-C-O 120.847 0.27 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.13 162.08 21.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.458 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.58 141.63 93.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.559 0.695 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 158.29 57.42 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.6 p -133.71 166.46 22.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 m 60.48 52.75 4.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.0 t -95.29 112.78 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -122.41 141.9 51.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 53.4 mt -118.24 134.2 62.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.176 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 m -143.33 135.48 26.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -69.47 126.45 29.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -116.86 168.15 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.8 m -52.48 -38.5 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.31 26.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.65 -104.33 2.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.559 HD13 ' CZ3' ' A' ' 111' ' ' TRP . 94.2 mt -118.94 145.78 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 111.127 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -120.36 97.34 5.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tp -86.21 118.48 25.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.8 p -133.34 135.79 44.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.545 ' CZ2' ' HA ' ' A' ' 69' ' ' THR . 45.3 p90 -144.07 176.12 9.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -122.65 153.03 62.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.588 0.708 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 164.32 34.98 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.94 40.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.6 mm . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.863 0.363 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.438 ' C ' ' CD ' ' A' ' 39' ' ' GLU . 26.0 mt -66.14 -67.58 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.438 ' CD ' ' C ' ' A' ' 38' ' ' LEU . 43.3 mp0 -156.97 163.62 38.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -109.8 168.65 9.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.8 t -148.78 125.44 11.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.43 134.64 48.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.061 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 4.2 m-85 -123.78 154.89 38.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.548 HD13 ' CE1' ' A' ' 93' ' ' PHE . 8.5 tp -128.98 128.22 43.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.554 ' N ' ' CD2' ' A' ' 60' ' ' PHE . . . -58.34 131.85 51.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.1 pt -127.18 172.73 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.916 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.855 0.359 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.3 m -76.51 147.83 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.554 ' CD2' ' N ' ' A' ' 45' ' ' ALA . 3.1 m-85 -114.71 168.78 9.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 17.4 ptt? -124.66 138.46 54.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -65.14 118.79 9.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.1 pt -110.0 -25.47 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -150.92 135.1 16.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.3 t -128.4 89.46 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -153.51 164.11 30.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.74 18.68 11.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 70' ' ' SER . 23.0 ttpp -87.88 4.8 43.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.545 ' HA ' ' CZ2' ' A' ' 27' ' ' TRP . 41.9 p 39.74 24.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' LYS . 67.9 m -159.99 138.4 10.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.2 p -156.1 163.48 39.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.3 m -110.78 135.07 51.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.7 t -108.31 110.14 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.8 p -78.44 177.14 8.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -62.34 -54.13 44.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.32 -41.1 0.3 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.509 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -83.84 -48.16 10.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.5 mt -46.2 -42.97 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.84 -34.77 20.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -77.21 -27.18 53.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.98 120.74 7.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -86.52 121.11 28.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.2 mt -81.64 138.58 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.64 106.78 17.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' A' ' 89' ' ' PRO . 17.7 m-85 -99.28 41.78 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.2 p -102.16 -50.86 3.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.4 m -125.59 -44.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.467 ' CG ' HD23 ' A' ' 112' ' ' LEU . 20.1 ttm180 -142.1 120.71 7.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.407 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.73 80.99 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.713 2.275 . . . . 0.0 112.367 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.09 168.56 19.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.559 HG22 ' CZ ' ' A' ' 93' ' ' PHE . 13.3 mt -86.84 131.42 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.5 t -95.35 138.61 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.559 ' CZ ' HG22 ' A' ' 91' ' ' ILE . 91.0 m-85 -129.11 176.52 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.414 ' C ' HG13 ' A' ' 95' ' ' ILE . 41.0 mtt-85 -162.74 141.0 8.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.485 HD11 ' CE3' ' A' ' 27' ' ' TRP . 26.7 mt -142.02 143.11 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.7 t -150.12 172.66 14.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.6 164.17 11.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.08 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.508 ' HG3' ' CZ ' ' A' ' 103' ' ' TYR . 1.4 ttpm? -132.27 112.8 12.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 100' ' ' GLU . 65.4 t30 -131.62 176.38 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 99' ' ' ASN . 51.1 mt-10 -33.83 -46.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.66 -56.64 15.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.01 -87.93 0.15 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.508 ' CZ ' ' HG3' ' A' ' 98' ' ' LYS . 10.3 m-85 -150.69 122.86 8.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.917 0.389 . . . . 0.0 110.933 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -93.43 -149.02 24.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.509 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 157.64 59.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -126.16 132.68 51.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.4 m -82.22 136.46 35.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -101.41 155.47 18.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 14.5 tt -157.1 133.87 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -100.07 129.56 46.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.559 ' CZ3' HD13 ' A' ' 23' ' ' ILE . 19.1 t90 -121.41 109.78 15.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.467 HD23 ' CG ' ' A' ' 88' ' ' ARG . 27.0 mt -65.76 130.12 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 179.89 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.429 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.149 0 CA-C-O 120.775 0.24 . . . . 0.0 112.364 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.22 159.74 4.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.27 137.43 68.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.529 0.681 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 145.09 56.45 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -137.5 171.9 13.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.9 m 66.44 40.87 3.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.5 t -81.24 114.39 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -102.64 146.34 28.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.481 HG22 ' CE2' ' A' ' 111' ' ' TRP . 69.0 mt -132.75 146.19 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.4 m -153.25 135.3 14.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -64.92 132.54 49.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -108.98 169.26 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -73.47 -39.1 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -100.86 25.98 7.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.15 -139.6 10.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.464 HG21 ' N ' ' A' ' 24' ' ' HIS . 43.6 mt -121.33 140.59 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 111.172 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.464 ' N ' HG21 ' A' ' 23' ' ' ILE . 12.4 t60 -101.06 110.74 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.79 119.82 39.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.9 p -121.16 155.34 34.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.5 p90 -159.63 166.2 31.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -122.66 153.05 62.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 166.03 28.93 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 144.87 55.3 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.689 2.259 . . . . 0.0 112.313 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.939 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.4 mm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.829 0.347 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.8 mt -50.65 170.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -43.29 155.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -90.8 169.07 11.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -141.9 134.61 28.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.41 131.4 53.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -122.01 162.18 21.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.557 HD13 ' CE1' ' A' ' 93' ' ' PHE . 18.2 tp -147.83 134.09 19.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.9 142.39 58.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.454 HG23 ' CG ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -134.16 172.59 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' ILE . 5.7 ttt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.423 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.83 0.348 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.3 t -84.64 108.98 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 58' ' ' LEU . 8.4 m-85 -89.54 116.82 27.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.454 ' CG ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -88.27 139.77 30.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -53.06 123.21 11.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.48 HG13 ' N ' ' A' ' 64' ' ' TYR . 42.9 pt -106.28 -35.94 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.48 ' N ' HG13 ' A' ' 63' ' ' ILE . 62.6 t80 -128.57 138.48 52.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.1 p -127.41 117.23 21.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.13 -158.61 26.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 68' ' ' LYS . 2.5 pt? -121.12 -41.24 2.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.894 0.378 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.435 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -38.33 143.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.2 p -80.63 39.72 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -176.13 157.84 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.465 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 25.8 p -158.28 171.92 19.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.9 m -122.92 136.53 54.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.8 t -108.79 136.28 45.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.8 p -93.89 144.5 25.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -44.76 -53.41 7.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.097 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.04 -44.96 0.55 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.503 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -75.11 -45.16 43.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.42 HD11 ' CD1' ' A' ' 23' ' ' ILE . 12.9 mt -43.47 -36.64 2.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.74 -41.31 73.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -75.51 -25.62 57.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.71 129.45 36.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -70.85 137.28 49.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.2 mm -104.77 99.73 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -74.16 98.68 3.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' SER . 28.9 m-85 -82.43 19.54 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.7 p -59.98 75.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.148 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' TYR . 74.1 m 56.42 25.02 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -179.54 104.99 0.18 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 93.56 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.28 . . . . 0.0 112.34 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.442 ' HB3' ' N ' ' A' ' 112' ' ' LEU . . . -142.33 170.86 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.487 HG22 ' CZ ' ' A' ' 93' ' ' PHE . 15.8 mt -100.91 136.76 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.463 ' N ' HG23 ' A' ' 91' ' ' ILE . 46.6 t -91.71 142.34 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.557 ' CE1' HD13 ' A' ' 44' ' ' LEU . 60.2 m-85 -137.17 167.94 20.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.42 ' C ' HG13 ' A' ' 95' ' ' ILE . 16.1 mtm180 -152.28 139.62 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 96' ' ' SER . 47.8 mt -145.06 139.95 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.46 ' N ' HG23 ' A' ' 95' ' ' ILE . 8.4 t -150.07 165.95 31.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.43 165.27 13.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 103' ' ' TYR . 19.8 tttm -126.56 118.55 25.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.429 ' ND2' ' HB3' ' A' ' 8' ' ' PRO . 45.1 m-20 -95.72 17.45 14.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 70.71 28.21 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -134.38 -43.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 103' ' ' TYR . . . 163.73 106.88 0.2 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 98' ' ' LYS . 14.1 m-85 -33.63 126.76 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.913 0.387 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -88.35 -139.43 6.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 145.47 57.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.721 2.281 . . . . 0.0 112.286 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.44 122.66 47.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 108' ' ' GLN . 25.2 m -75.01 144.55 43.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.447 ' N ' HG22 ' A' ' 107' ' ' THR . 16.9 tt0 -114.08 160.48 18.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.6 tt -159.55 148.73 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 110' ' ' ARG . 0.9 OUTLIER -117.78 111.38 19.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.481 ' CE2' HG22 ' A' ' 16' ' ' ILE . 30.5 t90 -102.28 105.41 16.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.442 ' N ' ' HB3' ' A' ' 90' ' ' ALA . 19.9 mt -51.09 166.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.895 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.466 -0.126 0 CA-C-O 120.829 0.262 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.09 155.81 1.66 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.91 147.26 50.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.719 . . . . 0.0 111.071 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 133.04 24.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 m -118.18 162.16 18.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.7 m 70.27 40.91 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.0 t -74.93 109.68 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -104.96 146.42 29.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.457 HG21 ' N ' ' A' ' 17' ' ' SER . 69.6 mt -129.15 147.45 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.457 ' N ' HG21 ' A' ' 16' ' ' ILE . 1.4 t -146.12 118.28 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -74.7 124.18 26.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -111.51 172.02 7.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.6 m -64.27 -43.88 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.53 -29.79 63.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.43 -168.38 40.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.433 HD11 ' CZ3' ' A' ' 111' ' ' TRP . 69.0 mt -81.11 142.38 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.852 0.358 . . . . 0.0 111.158 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -112.04 98.86 7.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 tp -84.44 119.83 25.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -127.07 156.84 41.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 17.0 p90 -168.66 175.08 6.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -111.73 153.84 44.21 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.682 0.753 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.33 21.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 2.244 . . . . 0.0 112.356 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.72 9.4 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.706 2.27 . . . . 0.0 112.329 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.2 mm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.904 0.383 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 mt -73.8 169.93 16.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.429 ' CB ' ' HB3' ' A' ' 67' ' ' LEU . 2.4 pp20? -48.24 177.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -115.74 169.36 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.2 p -144.15 134.96 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -114.76 130.74 56.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -115.61 153.67 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 81' ' ' ALA . 14.5 tp -135.55 114.05 11.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.37 124.08 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.3 pt -123.0 139.57 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.463 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 10.2 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.0 t -81.47 113.0 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' A' ' 58' ' ' LEU . 9.1 m-85 -98.81 153.93 18.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.1 ptt? -128.53 144.55 51.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 62' ' ' ARG . 7.1 tmm_? -65.54 121.74 15.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.43 HG13 ' N ' ' A' ' 64' ' ' TYR . 9.7 pt -112.73 -33.61 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.43 ' N ' HG13 ' A' ' 63' ' ' ILE . 11.1 t80 -114.45 133.28 55.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.9 p -119.59 123.94 45.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.63 -168.62 40.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.429 ' HB3' ' CB ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -133.95 13.93 3.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.917 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -84.26 167.95 16.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.1 p -89.99 -20.41 23.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.5 p -126.28 129.93 49.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.4 p -130.75 169.76 15.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.7 m -124.33 135.45 53.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.4 t -109.39 139.28 32.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 p -95.14 162.8 13.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.096 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -60.38 -46.34 90.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.86 -52.16 1.5 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.448 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.413 ' NE2' ' HB ' ' A' ' 63' ' ' ILE . 45.8 mt-30 -70.56 -42.5 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -51.15 -37.29 45.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.36 -36.25 68.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.0 20.56 11.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.471 ' HB2' ' CD1' ' A' ' 44' ' ' LEU . . . -97.99 118.62 34.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.045 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -72.87 116.2 13.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.0 mt -94.49 121.22 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.44 ' OD1' ' CG2' ' A' ' 92' ' ' VAL . 0.3 OUTLIER -72.52 98.68 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' SER . 9.8 m-85 -83.02 10.37 8.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 88' ' ' ARG . 60.0 p -52.62 89.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 85' ' ' TYR . 5.9 t 41.74 24.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.455 ' CG ' HD21 ' A' ' 112' ' ' LEU . 20.3 ttm180 -178.08 105.05 0.21 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.822 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 91.22 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.97 153.95 51.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.502 HG22 ' CE2' ' A' ' 93' ' ' PHE . 58.2 mt -96.59 134.2 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.44 ' CG2' ' OD1' ' A' ' 84' ' ' ASP . 93.6 t -96.72 138.15 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.502 ' CE2' HG22 ' A' ' 91' ' ' ILE . 61.1 m-85 -134.35 148.42 50.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -121.52 132.92 54.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 35.3 mt -140.79 142.04 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.0 t -160.15 162.78 34.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.74 153.23 21.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 41.6 tttt -106.08 132.28 52.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -123.41 179.33 4.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -42.81 -41.91 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -80.62 -53.72 6.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.75 -142.46 7.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.521 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 98.3 m-85 -98.12 135.78 39.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.932 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -96.74 -133.74 7.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 142.74 48.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.381 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.19 159.93 16.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 84.0 m -112.07 137.48 50.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -104.26 118.68 37.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 17.1 tt -115.6 146.77 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.405 ' NH1' ' HD2' ' A' ' 88' ' ' ARG . 56.4 mtm180 -119.71 114.13 21.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.47 ' CZ3' ' CD ' ' A' ' 113' ' ' GLN . 18.8 t90 -105.21 96.94 6.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.455 HD21 ' CG ' ' A' ' 88' ' ' ARG . 1.7 mt -51.54 125.69 15.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.47 ' CD ' ' CZ3' ' A' ' 111' ' ' TRP . 4.2 mm100 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.153 0 CA-C-O 120.842 0.267 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.93 171.28 25.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.56 151.37 41.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 152.07 69.37 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.641 2.227 . . . . 0.0 112.333 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 m -139.03 168.38 19.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.821 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.2 m 52.15 43.37 30.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.162 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -69.16 113.71 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -108.5 130.56 55.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.482 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 23.9 mt -121.43 129.45 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 m -126.66 174.03 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -89.01 129.45 35.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.419 ' HB3' ' C ' ' A' ' 22' ' ' GLY . 15.8 t30 -99.41 156.08 17.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.4 t -64.2 -38.09 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -109.78 29.3 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.419 ' C ' ' HB3' ' A' ' 19' ' ' ASN . . . 143.19 -135.88 6.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.432 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.484 HD13 ' CZ3' ' A' ' 111' ' ' TRP . 43.7 mt -113.67 144.51 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.404 ' N ' HG21 ' A' ' 23' ' ' ILE . 17.0 t60 -110.24 102.88 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.9 139.49 30.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.1 m -145.25 149.46 34.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.427 ' CE3' HD12 ' A' ' 95' ' ' ILE . 34.3 p90 -156.27 176.44 12.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -113.57 153.28 45.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.739 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 162.9 40.27 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.315 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 146.59 60.67 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -179.955 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.9 mm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.856 0.36 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 67.8 mt -70.62 160.25 32.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.965 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -45.51 150.22 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -94.87 168.13 10.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 m -150.0 132.62 15.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.68 141.43 42.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -119.07 145.0 46.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.523 HD12 ' CE1' ' A' ' 93' ' ' PHE . 30.2 tp -119.65 117.35 28.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.486 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -46.66 134.96 9.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.8 pt -129.6 129.39 66.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 2.7 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.8 t -73.93 107.2 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 58' ' ' LEU . 17.2 m-85 -97.64 129.32 44.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -109.75 140.74 43.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -63.98 119.16 9.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 64' ' ' TYR . 28.5 pt -108.28 -32.37 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.434 ' N ' HG13 ' A' ' 63' ' ' ILE . 1.5 t80 -117.93 132.41 56.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.1 t -125.71 93.58 3.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -166.84 -169.7 30.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.492 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.436 ' HG ' ' N ' ' A' ' 68' ' ' LYS . 2.1 pt? -108.91 -39.28 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.436 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 13.7 tptm -41.26 140.12 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 50.6 p -85.61 37.67 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 86.1 p -167.49 124.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 20.1 p -131.03 166.45 20.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.0 m -120.44 128.88 53.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.0 t -103.15 130.71 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.0 p -88.51 155.36 19.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -53.2 -51.19 62.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.089 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -37.42 -49.59 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -71.03 -43.73 67.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.815 0.341 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 23' ' ' ILE . 18.1 mt -45.71 -43.17 12.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.01 -42.04 60.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -74.26 -26.7 60.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.1 122.0 13.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 82' ' ' HIS . 3.5 t60 -71.47 122.47 20.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.473 HG22 ' CZ ' ' A' ' 85' ' ' TYR . 38.8 mm -86.82 107.84 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.33 99.2 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.501 ' O ' ' N ' ' A' ' 87' ' ' SER . 41.6 m-85 -89.21 17.04 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.9 p -59.59 75.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 85' ' ' TYR . 1.2 t 60.19 24.99 14.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -179.33 105.01 0.19 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 88.53 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.248 . . . . 0.0 112.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.42 ' HB2' ' C ' ' A' ' 111' ' ' TRP . . . -141.6 170.66 15.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.528 HG23 ' CZ ' ' A' ' 93' ' ' PHE . 73.6 mt -103.09 129.44 54.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.5 t -86.9 109.46 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.528 ' CZ ' HG23 ' A' ' 91' ' ' ILE . 52.3 m-85 -105.47 164.33 11.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -144.29 127.92 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.427 HD12 ' CE3' ' A' ' 27' ' ' TRP . 21.1 mt -134.24 132.56 55.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.2 t -142.24 163.2 33.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.86 149.65 25.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -110.01 134.74 51.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 100' ' ' GLU . 12.9 t-20 -126.31 165.4 19.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 99' ' ' ASN . 10.3 tt0 -36.35 -39.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -59.7 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.5 -147.04 10.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -93.04 148.01 22.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.951 0.405 . . . . 0.0 110.923 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 105' ' ' PRO . . . -115.49 -129.77 4.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 104' ' ' GLY . 53.6 Cg_endo -69.7 143.91 52.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 0.0 112.372 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -116.75 144.43 44.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.4 m -110.26 143.02 41.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.41 ' NE2' ' HG3' ' A' ' 110' ' ' ARG . 12.0 tm0? -110.12 150.84 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.9 tt -151.4 132.59 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.41 ' HG3' ' NE2' ' A' ' 108' ' ' GLN . 17.3 mtm180 -101.66 98.11 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.484 ' CZ3' HD13 ' A' ' 23' ' ' ILE . 33.0 t90 -81.79 99.33 8.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.36 129.97 44.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.9 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.436 ' HD3' ' ND2' ' A' ' 99' ' ' ASN . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.836 0.265 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.49 174.7 7.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.423 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.17 148.11 33.91 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.565 0.698 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 112.19 3.0 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.6 m -95.3 153.49 17.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 m 75.02 41.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -71.26 111.44 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -101.74 144.42 30.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.5 mt -128.88 122.59 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.5 m -122.85 135.22 54.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -73.11 122.32 21.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -106.96 159.42 16.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.76 -41.77 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -72.15 -28.8 63.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.92 -114.54 0.54 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.523 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.1 mt -119.12 137.62 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 24' ' ' HIS . 2.4 t-160 -105.59 99.53 9.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tp -87.2 125.34 34.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.0 p -131.9 145.71 51.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 17.6 p90 -155.6 167.24 31.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -115.49 148.71 41.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.661 0.743 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 164.73 33.53 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.268 . . . . 0.0 112.307 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.95 64.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.6 mm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.863 0.364 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.3 mt -56.83 179.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -52.69 -174.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.408 ' O ' ' O ' ' A' ' 66' ' ' GLY . 13.0 m-85 -124.0 169.6 11.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 t -150.78 119.8 6.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -98.23 145.67 26.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.445 ' HB3' ' CB ' ' A' ' 60' ' ' PHE . 12.0 m-85 -128.01 156.41 42.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.43 HD23 ' CB ' ' A' ' 81' ' ' ALA . 28.6 tp -137.57 142.02 41.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.56 ' HB2' ' CD2' ' A' ' 82' ' ' HIS . . . -86.23 117.67 25.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.087 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.429 HG13 ' N ' ' A' ' 47' ' ' ARG . 30.4 pt -106.87 -36.79 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.429 ' N ' HG13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.858 0.361 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.3 p -98.48 109.01 23.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.564 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 10.3 m-85 -103.65 124.52 48.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -94.07 135.4 35.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.423 ' C ' ' HD2' ' A' ' 62' ' ' ARG . 5.5 tmm_? -55.46 122.74 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.458 HG13 ' N ' ' A' ' 64' ' ' TYR . 42.5 pt -113.68 -37.86 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.492 ' CD1' ' HB2' ' A' ' 71' ' ' CYS . 32.4 t80 -115.7 133.15 56.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 9.3 t -114.9 90.32 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.468 ' HA3' ' CZ ' ' A' ' 64' ' ' TYR . . . -155.03 179.6 30.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.513 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.423 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 1.7 pt? -124.23 -26.45 3.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.926 0.393 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.74 150.97 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.3 p -79.3 41.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.0 p -175.89 127.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.492 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 16.5 p -134.82 162.42 32.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.9 m -125.63 136.68 53.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.439 HG11 ' N ' ' A' ' 74' ' ' THR . 86.0 t -111.61 144.62 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.439 ' N ' HG11 ' A' ' 73' ' ' VAL . 47.3 p -94.13 162.46 13.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.52 -49.94 75.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.22 -54.02 2.1 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -63.52 -49.58 72.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -44.13 -45.96 8.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.35 -43.6 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -72.93 -22.5 60.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.43 ' CB ' HD23 ' A' ' 44' ' ' LEU . . . -59.23 132.07 52.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 45' ' ' ALA . 1.0 OUTLIER -85.67 123.79 31.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 80.4 mt -97.74 120.64 47.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -83.1 101.95 11.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' A' ' 87' ' ' SER . 19.1 m-85 -82.97 18.95 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.6 m -56.82 79.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 85' ' ' TYR . 2.6 t 50.1 25.05 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.46 ' HG2' ' CD2' ' A' ' 112' ' ' LEU . 6.5 ttm180 -178.7 105.0 0.2 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.729 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.7 Cg_endo -69.73 96.97 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.724 2.283 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.472 ' HB1' ' CD2' ' A' ' 112' ' ' LEU . . . -142.33 153.21 43.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 70.9 mt -99.82 133.88 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 93' ' ' PHE . 45.0 t -93.96 140.52 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.443 ' N ' HG12 ' A' ' 92' ' ' VAL . 26.1 m-85 -132.24 167.8 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.564 ' HG3' ' CD1' ' A' ' 60' ' ' PHE . 9.4 mmt180 -142.67 135.98 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.426 HG13 ' C ' ' A' ' 94' ' ' ARG . 46.2 mt -145.3 140.52 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.4 p -151.71 176.69 11.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.401 ' C ' ' CD2' ' A' ' 103' ' ' TYR . . . -134.34 148.95 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.453 ' CD ' ' HA2' ' A' ' 102' ' ' GLY . 14.4 ttpp -113.32 131.66 55.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.436 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 28.6 m-20 -97.5 -68.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -134.83 -58.62 0.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -73.12 -54.87 7.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.453 ' HA2' ' CD ' ' A' ' 98' ' ' LYS . . . -176.66 -146.45 6.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.401 ' CD2' ' C ' ' A' ' 97' ' ' ALA . 47.4 m-85 -103.04 155.77 18.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.14 -106.54 2.52 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.16 17.13 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -104.79 121.54 43.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.5 151.31 38.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -129.54 136.13 49.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 18.3 tt -137.58 136.76 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -104.56 103.82 13.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -88.12 95.71 10.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.472 ' CD2' ' HB1' ' A' ' 90' ' ' ALA . 31.9 mt -62.32 133.86 55.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.898 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.149 0 CA-C-O 120.851 0.271 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.25 143.07 22.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.46 153.97 81.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.537 0.684 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 143.54 51.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.237 . . . . 0.0 112.336 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.5 m -132.66 154.93 49.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m 72.0 45.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.91 129.75 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -120.0 153.99 35.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.8 mt -135.07 121.02 31.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.3 m -122.82 129.58 51.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -67.46 135.2 52.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -112.0 151.27 29.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.455 HG22 ' N ' ' A' ' 21' ' ' ASP . 28.7 m -54.86 -32.29 26.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.455 ' N ' HG22 ' A' ' 20' ' ' VAL . 2.8 t70 -83.77 -28.04 28.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.69 -106.14 0.22 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.459 HD11 ' CD1' ' A' ' 78' ' ' LEU . 63.2 mt -129.86 140.14 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 111.099 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -114.2 97.16 6.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tp -81.82 132.36 35.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -139.63 159.21 42.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 41.0 p90 -165.34 167.08 18.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -105.37 155.53 37.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.652 0.739 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 159.83 51.97 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 31' ' ' THR . 53.6 Cg_endo -69.74 94.39 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.646 2.23 . . . . 0.0 112.376 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' PRO . 9.3 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.498 HG22 ' CE1' ' A' ' 40' ' ' TYR . 4.9 mp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.896 0.379 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' ILE . 41.8 mt -37.17 -45.83 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -161.77 159.8 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.498 ' CE1' HG22 ' A' ' 37' ' ' ILE . 5.8 m-85 -102.84 169.04 8.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.7 p -147.31 127.8 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.09 126.08 52.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -111.63 138.13 48.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.952 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.472 HD13 ' CE1' ' A' ' 93' ' ' PHE . 18.9 tp -116.03 106.77 14.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.549 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -44.84 125.96 5.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.431 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -131.23 172.21 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.3 mmm-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.847 0.356 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.0 p -105.27 131.42 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 94' ' ' ARG . 3.5 m-85 -120.75 130.8 54.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.415 ' HG2' ' CD1' ' A' ' 46' ' ' ILE . 7.4 ptt? -107.37 158.21 17.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 62' ' ' ARG . 4.0 tmm_? -76.32 121.93 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 64' ' ' TYR . 40.1 pt -109.31 -33.79 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.461 ' N ' HG13 ' A' ' 63' ' ' ILE . 8.7 t80 -133.83 138.66 45.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.1 t -128.77 96.35 4.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.01 138.83 5.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 68' ' ' LYS . 1.1 pt? -54.98 -37.9 67.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 110.933 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.412 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 8.5 ttmm -41.0 142.88 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 79.4 p -93.89 37.69 1.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.6 p -165.24 124.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.6 p -134.08 166.56 22.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 73' ' ' VAL . 86.8 m -121.86 141.0 51.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.436 ' N ' HG23 ' A' ' 72' ' ' THR . 90.8 t -110.69 138.93 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.414 ' N ' HG13 ' A' ' 73' ' ' VAL . 31.2 p -95.59 172.14 8.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -67.8 -58.9 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.51 -42.61 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -78.98 -42.47 26.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.459 ' CD1' HD11 ' A' ' 23' ' ' ILE . 16.1 mt -50.65 -48.26 58.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.68 43.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -71.2 -23.38 62.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.65 129.39 40.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -77.4 92.75 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 76.6 mt -74.16 119.5 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.91 94.64 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 87' ' ' SER . 11.1 m-85 -76.6 7.07 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.0 m -47.86 87.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 85' ' ' TYR . 23.3 m 43.37 25.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 87' ' ' SER . 6.8 mtt180 -178.03 106.21 0.21 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.596 0.713 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 97.8 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.437 ' CB ' ' HG2' ' A' ' 110' ' ' ARG . . . -142.36 157.6 44.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 13.4 mt -105.2 133.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.438 HG12 ' NE2' ' A' ' 108' ' ' GLN . 74.1 t -97.43 122.26 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.472 ' CE1' HD13 ' A' ' 44' ' ' LEU . 51.1 m-85 -105.36 164.81 11.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.568 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 3.0 mmm180 -148.66 115.76 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.4 mt -128.54 146.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.1 t -148.65 170.75 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -110.0 139.08 45.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 38.1 tttt -103.8 137.41 41.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 100' ' ' GLU . 22.1 p-10 -132.02 173.05 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 99' ' ' ASN . 31.0 mt-10 -36.82 -43.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -64.55 -64.95 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 172.41 -93.05 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.43 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 39.8 m-85 -144.7 137.67 26.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.921 0.391 . . . . 0.0 110.946 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -111.84 -128.17 5.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.96 46.66 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.336 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.98 162.94 15.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 96.8 m -121.76 137.77 54.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.438 ' NE2' HG12 ' A' ' 92' ' ' VAL . 2.1 tt0 -116.89 148.28 41.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.4 tt -151.8 133.25 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.437 ' HG2' ' CB ' ' A' ' 90' ' ' ALA . 14.1 ttp180 -93.25 141.46 28.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -123.06 105.57 10.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.9 mt -76.77 105.58 7.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.923 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 m -82.64 68.34 9.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.6 p -134.1 153.73 51.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.57 -84.12 1.15 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 6' ' ' SER . 13.2 t -79.08 -71.65 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 5' ' ' SER . 55.7 m -37.36 110.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.48 -173.32 47.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.45 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 133.12 24.83 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.321 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.02 154.79 1.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.7 149.57 96.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 146.25 59.36 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.26 . . . . 0.0 112.346 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.6 m -120.28 168.99 10.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 59.63 49.82 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -96.87 111.89 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -121.71 159.12 27.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 58.9 mt -128.13 117.78 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.8 m -111.88 148.97 32.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -72.16 131.99 43.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -105.26 169.5 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.9 t -82.63 -12.66 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -125.17 10.17 8.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.89 -123.73 1.49 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.501 HD12 ' CZ3' ' A' ' 111' ' ' TRP . 65.6 mt -123.8 139.42 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 111.166 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -107.23 99.62 9.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 tp -86.23 123.43 31.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.5 p -132.07 147.62 52.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 48.3 p90 -155.45 -178.78 7.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -128.32 153.66 78.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 163.81 36.86 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.698 2.266 . . . . 0.0 112.365 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 148.54 65.4 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.351 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 t -62.1 -39.98 94.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.18 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.2 m -76.48 143.23 72.03 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.661 0.743 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -26.87 27.14 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.0 t 43.42 32.25 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.83 -114.31 4.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -102.76 111.04 23.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.2 mm -85.32 108.6 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.6 mt -78.66 171.06 15.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -45.74 156.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -96.75 166.52 11.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.6 t -148.56 136.15 20.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -116.44 130.1 56.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 3.2 m-85 -112.99 158.05 20.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.6 tp -138.27 127.73 24.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.61 137.08 44.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.6 pt -135.53 170.93 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -147.3 123.13 10.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.8 t -76.15 -44.71 36.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -149.27 172.55 14.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -51.79 117.2 2.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.08 152.78 5.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.38 -49.76 3.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -86.67 161.07 18.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -42.43 143.09 1.16 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 87.64 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.652 2.235 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 98.1 p -126.77 -60.08 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -81.11 146.76 30.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.443 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -130.16 160.68 33.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.1 t -119.5 104.45 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.53 ' CD1' ' NH2' ' A' ' 94' ' ' ARG . 16.3 m-85 -92.21 128.46 38.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.91 133.97 55.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -50.59 128.81 21.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.0 pt -117.43 -30.61 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -128.06 126.62 41.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.6 t -119.38 106.68 12.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.0 -167.26 35.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.446 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -111.66 -27.39 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.37 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.74 145.49 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.2 p -93.04 38.55 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.5 p -171.73 126.95 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 11.4 p -129.83 167.74 17.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.2 m -124.93 135.66 53.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.0 t -111.23 118.5 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.7 p -77.63 155.54 31.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 78' ' ' LEU . . . -49.53 -61.02 2.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.56 -37.73 0.57 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -74.2 -41.54 61.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.359 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 75' ' ' ALA . 9.5 mt -57.4 -34.11 68.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.77 -13.26 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.082 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.34 -22.16 16.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.69 133.8 55.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 82' ' ' HIS . 7.2 t60 -96.08 105.16 17.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.6 mt -81.79 135.67 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -82.82 109.95 17.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -97.66 34.09 1.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.9 m -84.18 -60.04 2.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -113.78 -49.7 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.8 mtt85 -144.12 132.5 10.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.631 0.729 . . . . 0.0 110.822 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 95.77 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.314 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.88 154.05 49.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.571 HG21 ' CE2' ' A' ' 93' ' ' PHE . 72.3 mt -88.59 129.52 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.9 t -96.55 116.87 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.571 ' CE2' HG21 ' A' ' 91' ' ' ILE . 40.6 m-85 -110.93 147.21 35.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.825 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.53 ' NH2' ' CD1' ' A' ' 60' ' ' PHE . 5.5 ttm180 -124.3 136.16 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 96' ' ' SER . 28.2 mt -142.58 147.02 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.183 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.431 ' N ' HG22 ' A' ' 95' ' ' ILE . 4.1 t -156.52 177.67 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -126.89 134.03 50.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.535 ' HB2' ' CE2' ' A' ' 103' ' ' TYR . 27.8 tttt -83.58 135.82 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.48 -58.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -132.89 -65.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -123.86 -10.35 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -140.11 -178.31 16.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' A' ' 98' ' ' LYS . 12.6 m-85 -113.23 165.06 12.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 0.0 110.891 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -86.3 -152.7 21.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.445 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 124.82 11.43 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.46 ' CB ' ' HD3' ' A' ' 94' ' ' ARG . . . -81.72 149.05 28.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.9 m -104.51 133.12 49.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -98.15 113.42 25.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.6 tt -112.39 149.82 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -120.26 117.2 27.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.501 ' CZ3' HD12 ' A' ' 23' ' ' ILE . 15.0 t90 -100.62 111.92 24.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 113' ' ' GLN . 16.8 mt -83.57 115.9 22.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 112' ' ' LEU . 53.7 mt-30 -35.91 -60.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.63 179.88 18.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -118.85 -44.58 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.4 t -90.58 164.52 14.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -143.98 147.47 33.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.0 m -69.07 -49.04 60.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -177.64 -166.28 34.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 153.01 69.52 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.713 2.275 . . . . 0.0 112.356 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.4 m -141.83 163.03 34.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.0 t -97.61 130.67 44.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 t -111.87 141.19 45.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 110.847 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.9 p -93.51 112.62 24.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.8 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.65 83.54 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -145.91 151.69 38.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 m -68.74 82.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.65 -168.4 38.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -8.62 24.06 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.324 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.92 154.49 25.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.552 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.16 151.15 39.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.56 0.695 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 159.84 51.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.287 . . . . 0.0 112.317 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -138.61 168.52 19.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m 55.17 47.77 20.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.3 t -76.26 111.04 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -106.71 152.17 24.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.3 mt -135.01 122.68 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -117.6 147.89 42.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -70.9 131.88 44.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -104.73 146.62 28.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.6 m -61.29 -20.76 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -114.54 2.28 14.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.26 -121.0 0.99 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.0 mt -130.86 138.05 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -108.64 99.75 9.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.451 HD13 ' CE2' ' A' ' 93' ' ' PHE . 1.8 tp -80.09 136.8 36.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -138.45 162.12 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 32.8 p90 -167.92 -176.7 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -127.05 155.62 75.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 152.07 69.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.314 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 107.34 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.413 ' O ' ' CG2' ' A' ' 31' ' ' THR . 9.1 t -71.03 70.49 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.5 m -142.14 158.6 61.15 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.685 0.755 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' SER . 53.3 Cg_endo -69.77 3.08 2.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' PRO . 77.5 p -34.3 140.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' SER . . . -35.02 -91.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.469 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.94 173.52 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.9 mm -134.34 95.55 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.6 mt -56.27 -68.17 0.23 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -148.05 170.71 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -108.63 162.79 13.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -150.13 120.4 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.99 145.02 30.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 1.5 m-85 -130.84 157.88 41.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.3 tp -127.02 118.88 25.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.65 125.15 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.1 pt -131.5 161.22 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.49 152.09 46.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -160.47 116.89 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 61.18 34.01 19.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -105.93 83.27 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -107.39 110.21 22.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 53.74 46.06 26.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -97.44 160.28 14.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -63.84 144.24 98.03 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.644 0.735 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 115.7 4.22 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 57' ' ' GLN . 7.5 t -134.5 151.51 51.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 56' ' ' SER . 32.1 tt0 -34.62 96.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' SER . 5.9 mt -34.22 135.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.1 t -86.93 137.82 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.522 ' CE2' ' HG3' ' A' ' 94' ' ' ARG . 10.6 m-85 -114.28 153.06 30.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 15.6 ptt? -126.51 138.29 53.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -60.06 119.59 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.5 pt -115.88 -14.8 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -149.84 132.28 15.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 38.1 t -123.74 96.97 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.26 -162.77 12.35 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.02 -19.01 5.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 69' ' ' THR . 7.2 tmtm? -53.72 147.06 12.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.453 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 66.6 p -83.86 27.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.451 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 3.8 p -168.0 131.85 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 18.7 p -129.81 168.01 17.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.7 m -118.03 138.05 52.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -115.2 132.95 62.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.6 p -90.49 161.51 15.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.97 83.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -43.1 -39.29 3.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -79.9 -38.09 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.923 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 63.2 mt -54.48 -35.86 63.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.6 -29.94 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.087 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -85.44 -15.62 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.33 128.47 37.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.414 ' CD2' HD23 ' A' ' 58' ' ' LEU . 13.6 t60 -75.04 125.14 28.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.56 HG21 ' CE2' ' A' ' 85' ' ' TYR . 16.2 mm -98.97 126.63 52.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 88' ' ' ARG . 16.6 t70 -98.96 94.94 6.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.56 ' CE2' HG21 ' A' ' 83' ' ' ILE . 20.0 m-85 -81.59 -30.01 33.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 85' ' ' TYR . 95.5 m -36.82 -64.3 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 m -92.06 -67.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 7.3 ttm105 -148.64 133.45 9.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 92.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.41 160.67 39.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.3 mt -86.84 127.41 40.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.5 t -87.44 103.84 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.451 ' CE2' HD13 ' A' ' 25' ' ' LEU . 6.6 m-85 -100.55 133.84 44.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.522 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -118.24 134.15 55.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.2 mt -138.44 138.14 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.3 t -151.96 172.27 16.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.45 150.83 34.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.06 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 103' ' ' TYR . 3.5 ttpm? -112.22 121.06 43.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 100' ' ' GLU . 13.9 p-10 -120.94 173.76 7.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 99' ' ' ASN . 17.0 mt-10 -35.06 -39.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -77.92 -59.61 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 158.92 -128.37 2.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.44 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 98' ' ' LYS . 71.6 m-85 -114.74 127.16 55.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.971 0.415 . . . . 0.0 110.906 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.36 -95.93 1.94 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 136.33 32.86 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.324 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -127.01 165.84 18.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.0 m -127.39 123.49 36.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -104.68 116.33 31.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.424 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 10.7 tt -116.89 158.37 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -125.12 120.39 31.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -101.74 126.63 48.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 33.4 mt -81.72 97.04 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.408 ' OE1' ' N ' ' A' ' 115' ' ' ASN . 1.8 pp0? -102.14 150.21 23.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -63.04 -74.15 0.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.408 ' N ' ' OE1' ' A' ' 113' ' ' GLN . 16.7 p-10 -170.99 129.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.2 t -83.18 93.57 7.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.45 100.79 4.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 97.9 p -168.68 139.88 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -109.98 159.27 14.02 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.417 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 165.57 30.59 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.665 2.244 . . . . 0.0 112.366 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.1 p -123.87 36.38 4.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.1 p -150.71 124.58 9.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.507 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -106.14 87.1 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.82 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -53.0 175.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.54 53.86 2.96 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -61.23 89.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.876 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -157.31 133.23 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.838 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.99 -162.56 35.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.452 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -179.74 3.1 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.647 2.231 . . . . 0.0 112.355 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.77 170.86 31.15 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.82 154.36 47.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.576 0.703 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 141.59 45.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.2 m -117.87 162.02 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.4 m 55.51 47.65 20.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -81.19 114.9 22.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.0 mtm-85 -112.05 146.44 37.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.1 mt -122.9 109.23 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 t -108.75 123.03 48.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -67.38 136.32 54.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -106.44 171.56 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.4 t -74.4 -37.42 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -93.4 -20.95 19.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.33 -128.57 1.08 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 60.7 mt -127.96 153.33 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 111.104 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -118.12 97.97 6.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.831 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tp -87.39 117.01 25.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.1 p -123.38 155.19 37.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.2 p90 -159.89 177.07 11.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -124.16 154.19 68.41 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.63 0.728 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 169.99 17.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 116.7 4.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t -51.23 -44.39 61.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.3 t -79.56 143.06 58.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 110.827 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 119.12 6.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.328 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.1 p -95.59 -49.98 5.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.57 -104.31 0.22 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -122.84 88.97 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.776 0.322 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.1 mm -64.76 98.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 9.9 mt -67.64 -59.05 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 38' ' ' LEU . 22.9 mt-10 -162.78 171.37 16.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -115.36 168.3 10.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -152.72 129.0 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.03 158.7 15.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -144.92 157.58 44.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 tp -147.62 121.41 9.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.551 ' HB3' ' CE2' ' A' ' 60' ' ' PHE . . . -57.05 128.82 38.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.7 pt -122.26 149.51 25.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.427 ' N ' ' HB2' ' A' ' 82' ' ' HIS . 15.7 ttt85 -75.59 149.53 38.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.1 p -149.72 124.07 9.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.27 140.92 25.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -127.54 168.03 15.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 83.6 mmm -131.26 -62.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -68.99 -177.74 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.52 105.87 18.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -118.96 143.78 34.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.625 0.726 . . . . 0.0 110.851 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 174.54 9.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.5 t -45.18 96.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -129.69 141.25 50.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.0 mt -133.0 136.28 45.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.4 p -106.64 135.43 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 45' ' ' ALA . 16.7 m-85 -121.57 143.1 49.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.2 ptt? -130.06 143.21 50.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -67.58 117.59 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.7 pt -103.57 -24.73 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -130.03 132.86 46.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.3 p -125.65 111.92 15.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.82 171.53 39.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -88.02 -24.39 23.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.02 141.05 29.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.9 p -87.74 40.07 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.184 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 m -167.1 145.97 5.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 27.1 p -148.77 167.33 25.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.1 m -121.14 138.02 54.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -120.91 111.74 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.3 p -76.99 168.86 19.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.55 76.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.082 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -42.78 -49.78 6.02 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -69.28 -47.25 65.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.8 mt -47.6 -47.97 28.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.28 -42.9 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.106 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -72.16 -22.44 61.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.55 134.57 57.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.427 ' HB2' ' N ' ' A' ' 47' ' ' ARG . 7.8 t60 -86.44 133.27 33.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.405 ' HB ' ' CE2' ' A' ' 85' ' ' TYR . 46.7 mm -106.73 120.67 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -74.15 104.87 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.405 ' CE2' ' HB ' ' A' ' 83' ' ' ILE . 61.1 m-85 -104.68 42.57 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.5 t -113.28 -33.71 5.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.4 m -125.2 -41.75 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -165.7 130.95 1.9 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 90.51 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.71 167.13 22.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 62.1 mt -92.16 124.77 44.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.5 t -94.9 110.06 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -103.38 175.13 5.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -160.24 119.88 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.5 mt -125.21 147.37 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -163.22 161.71 25.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.24 158.33 17.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 14.8 ttpt -119.2 123.93 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -125.28 -177.25 3.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 -40.31 -45.96 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -66.73 -62.77 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.54 -137.37 4.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.535 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 41.2 m-85 -101.99 120.12 39.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.949 0.404 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.66 -155.76 5.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.432 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 146.09 59.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -110.69 132.94 53.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.6 m -83.58 127.12 33.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -98.69 114.04 26.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 13.3 tt -111.72 155.98 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 51.3 mtt85 -124.84 101.92 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 20.1 t90 -88.59 111.61 22.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 mt -76.06 130.19 37.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -121.75 -179.14 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.58 -146.87 20.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -109.18 114.76 28.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 59.8 p -112.56 108.72 17.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -148.38 136.07 20.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.4 t -72.4 124.22 24.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -83.29 -94.0 0.61 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 162.48 41.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.382 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.9 t -162.38 130.06 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.9 p -53.24 155.51 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.444 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -69.33 119.01 12.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.825 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -124.63 103.54 8.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.85 -171.81 34.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 p -145.58 131.95 19.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -154.97 112.91 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.99 159.79 31.98 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.68 16.79 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.34 162.07 13.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.78 144.1 29.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 133.38 25.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -122.94 158.13 31.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m 69.16 47.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.86 121.36 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -114.62 144.75 42.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.4 mt -130.27 125.93 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.7 m -116.22 149.93 38.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -91.57 122.25 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -116.59 154.55 30.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -53.5 -40.98 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -71.0 -20.93 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.72 -124.39 1.48 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.497 HD12 ' CZ3' ' A' ' 111' ' ' TRP . 14.8 mt -118.21 143.62 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 111.114 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 71' ' ' CYS . 6.6 t-80 -115.02 107.69 15.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.555 HD12 ' CD2' ' A' ' 93' ' ' PHE . 2.8 tp -84.3 124.16 30.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -128.8 163.25 25.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.557 ' CE3' HD12 ' A' ' 95' ' ' ILE . 31.7 p90 -171.67 178.17 3.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -123.33 155.18 65.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.654 0.74 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.41 67.05 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 138.3 37.4 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.1 t -90.46 41.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.4 m -123.88 141.45 36.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.679 0.752 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 86.45 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.246 . . . . 0.0 112.301 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.5 p -80.23 -38.35 31.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.45 -73.01 0.34 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -154.18 112.81 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.513 HG22 ' CE1' ' A' ' 40' ' ' TYR . 29.8 mt -95.01 109.5 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.1 mt -57.6 -57.65 11.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -163.66 164.5 23.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.513 ' CE1' HG22 ' A' ' 37' ' ' ILE . 5.0 m-85 -111.44 168.91 9.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.8 p -164.97 148.1 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -106.97 165.26 11.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -144.35 147.33 33.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 tp -136.67 118.97 15.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.465 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -57.39 125.97 25.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.058 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.9 pt -114.01 -178.07 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -80.18 168.27 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.3 p -139.29 146.51 40.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.98 141.33 56.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -54.85 -69.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 31.1 tpp -51.9 101.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -153.97 174.63 14.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -108.19 -71.9 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -38.35 158.25 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.631 0.729 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.449 ' C ' ' OE1' ' A' ' 57' ' ' GLN . 54.2 Cg_endo -69.76 176.32 6.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.258 . . . . 0.0 112.35 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.444 ' C ' ' OE1' ' A' ' 57' ' ' GLN . 5.7 t -73.04 91.24 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 59' ' ' VAL . 6.3 mp0 -123.85 103.54 8.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.431 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 10.6 mt -43.2 92.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 57' ' ' GLN . 7.0 p -79.15 132.69 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 15.0 m-85 -104.36 160.51 14.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.437 ' CE ' HG23 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -143.87 132.92 22.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 62' ' ' ARG . 17.6 ttp-105 -51.95 136.14 29.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.437 HG23 ' CE ' ' A' ' 61' ' ' MET . 13.8 pt -123.96 -14.63 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -143.03 144.59 32.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.8 p -125.49 127.02 45.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.63 172.15 24.46 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.527 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.39 14.19 30.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -82.59 150.86 26.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.419 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 80.8 p -93.81 27.0 2.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.3 p -162.19 125.7 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.468 ' O ' ' CD2' ' A' ' 24' ' ' HIS . 12.8 p -129.86 167.79 17.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.4 m -116.43 145.13 43.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.2 t -126.42 113.0 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.7 p -81.97 155.06 25.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.86 -53.21 34.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.61 -34.07 0.24 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -81.58 -50.66 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' A' ' 23' ' ' ILE . 13.9 mt -43.48 -30.73 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.57 -42.83 71.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 81' ' ' ALA . 27.2 p30 -73.54 -23.69 60.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.433 ' N ' ' OD1' ' A' ' 80' ' ' ASN . . . -61.09 137.13 58.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -86.94 131.5 34.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.485 HG21 ' CZ ' ' A' ' 85' ' ' TYR . 47.2 mm -104.43 123.33 58.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -86.21 122.15 29.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.485 ' CZ ' HG21 ' A' ' 83' ' ' ILE . 45.2 m-85 -118.58 28.67 8.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.5 p -80.2 -51.01 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 t -117.73 -56.1 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -140.4 133.96 15.11 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 92.6 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -139.39 168.13 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.424 HG23 ' CZ ' ' A' ' 93' ' ' PHE . 68.4 mt -101.92 137.56 29.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.7 t -103.6 113.63 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.555 ' CD2' HD12 ' A' ' 25' ' ' LEU . 88.6 m-85 -103.57 176.76 5.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -159.87 126.3 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.557 HD12 ' CE3' ' A' ' 27' ' ' TRP . 16.1 mt -130.71 148.93 33.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -164.32 154.05 14.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.485 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . . . -107.04 132.95 52.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.441 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 28.9 tttm -94.34 119.4 33.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -109.86 -175.96 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.17 -30.34 16.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.9 mmtm -80.8 -56.62 4.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.44 -137.66 4.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 36.7 m-85 -104.55 120.87 42.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.39 . . . . 0.0 110.949 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -82.81 -149.44 8.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 128.6 16.23 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -96.82 130.02 44.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.43 HG21 ' N ' ' A' ' 108' ' ' GLN . 99.6 m -86.57 135.2 33.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.43 ' N ' HG21 ' A' ' 107' ' ' THR . 54.4 tt0 -103.52 139.13 39.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 19.6 tt -139.29 129.47 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -99.09 104.08 16.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.497 ' CZ3' HD12 ' A' ' 23' ' ' ILE . 17.2 t90 -87.41 113.74 23.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.0 mt -73.51 125.42 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -70.78 141.03 51.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 145.67 118.26 1.15 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -150.28 176.48 10.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.339 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 59.5 m -115.12 123.97 50.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -73.42 119.31 17.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -132.25 109.16 9.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 68.89 78.26 0.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.523 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 154.8 67.2 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 98.9 p -158.67 156.78 30.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.4 m -97.27 110.06 22.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.545 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.1 p -114.17 178.37 4.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.36 . . . . 0.0 110.882 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -75.81 132.04 40.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.98 -159.19 29.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.4 p -97.32 160.18 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 110.879 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -124.45 -43.29 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.74 -157.89 27.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -3.8 12.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.23 . . . . 0.0 112.384 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.11 159.78 35.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.73 151.14 44.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.603 0.716 . . . . 0.0 111.112 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 149.87 67.6 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 m -136.35 168.57 19.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.6 m 53.16 50.35 17.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.2 t -80.01 133.22 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -123.29 144.75 49.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.445 HG22 ' CE2' ' A' ' 111' ' ' TRP . 55.7 mt -129.05 121.06 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -124.35 132.71 53.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -67.8 132.72 47.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -108.96 168.74 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.68 -38.24 44.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -100.52 18.07 20.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.94 -147.17 18.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 24' ' ' HIS . 63.5 mt -113.21 139.05 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 111.092 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.447 ' N ' HG22 ' A' ' 23' ' ' ILE . 2.4 t-80 -103.44 97.8 7.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 tp -87.82 117.29 26.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.4 p -124.04 155.48 38.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.5 p90 -160.9 163.39 31.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -99.86 151.25 37.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.635 0.731 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 152.44 68.96 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.653 2.235 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 115.39 4.08 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.71 2.274 . . . . 0.0 112.346 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.7 t -87.58 40.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 p -106.18 152.8 40.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.692 0.758 . . . . 0.0 110.842 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' SER . 54.3 Cg_endo -69.77 2.99 3.04 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.655 2.236 . . . . 0.0 112.367 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' PRO . 62.1 m -34.32 -44.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.49 -124.91 3.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -103.75 166.75 10.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.337 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.0 mm -125.91 115.11 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.7 mt -64.65 -65.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -150.3 175.31 11.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -124.73 165.96 17.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.9 m -163.91 157.8 19.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -133.03 143.15 49.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -119.94 137.44 54.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.942 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.464 ' CB ' HG21 ' A' ' 63' ' ' ILE . 51.9 tp -101.92 130.7 48.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.37 99.44 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.427 HG21 ' CE ' ' A' ' 61' ' ' MET . 12.7 pt -107.92 174.4 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.19 144.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.835 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 t -117.64 127.32 53.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.43 116.75 24.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -133.68 50.66 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 72.23 26.54 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -69.52 105.44 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -72.74 -20.19 61.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -134.9 143.1 44.8 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 171.62 14.14 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.739 2.293 . . . . 0.0 112.337 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 57' ' ' GLN . 22.2 p -156.01 154.04 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 56' ' ' SER . 36.5 mt-30 -34.89 101.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.9 mt -38.79 135.07 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.1 p -97.7 147.73 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.517 ' CD2' ' HG3' ' A' ' 94' ' ' ARG . 13.7 m-85 -122.81 159.46 28.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.427 ' CE ' HG21 ' A' ' 46' ' ' ILE . 7.1 ptt? -150.28 143.51 24.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -58.81 131.35 50.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.464 HG21 ' CB ' ' A' ' 44' ' ' LEU . 11.0 pt -123.76 -2.2 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -156.52 133.76 10.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.8 m -125.74 106.28 9.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.46 -165.67 26.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.516 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.62 10.2 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.857 0.361 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -78.62 171.81 14.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.1 p -102.34 0.64 34.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.7 m -153.47 127.93 9.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 15.5 p -127.59 166.52 17.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.1 m -114.16 134.69 54.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.6 t -105.2 140.5 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.6 p -96.18 153.28 17.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.97 -46.71 84.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -41.85 -42.54 3.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -78.08 -41.9 33.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.432 HD13 ' CD1' ' A' ' 23' ' ' ILE . 21.1 mt -49.92 -40.49 43.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.22 -36.89 6.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -78.28 -25.13 46.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . -58.28 108.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -75.14 125.58 29.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.2 mt -92.82 125.85 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -75.57 95.18 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.405 ' CE1' ' HB3' ' A' ' 89' ' ' PRO . 39.0 m-85 -91.83 30.63 1.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.4 m -86.87 -64.93 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -100.88 -45.18 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -151.96 135.71 9.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.405 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.76 91.98 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.89 165.39 27.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 66.7 mt -100.57 129.35 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -92.3 117.82 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.466 ' HB2' ' CG2' ' A' ' 109' ' ' ILE . 16.5 m-85 -105.87 173.82 6.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.517 ' HG3' ' CD2' ' A' ' 60' ' ' PHE . 12.0 mmm-85 -147.18 127.89 14.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.415 HG13 ' C ' ' A' ' 94' ' ' ARG . 18.5 mt -142.62 139.97 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.8 t -164.04 164.58 22.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.827 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.17 142.73 32.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 62.9 tttt -100.3 126.33 46.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -103.14 175.83 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -41.01 -33.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -89.1 -51.67 5.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 163.88 -158.39 30.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 96.4 m-85 -79.21 144.85 34.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.379 . . . . 0.0 110.941 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -123.29 -98.22 1.34 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 125.05 11.71 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -111.8 138.68 48.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.4 m -107.88 138.1 44.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -110.53 132.51 54.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 13.6 tt -131.25 154.56 40.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -120.49 134.9 55.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.445 ' CE2' HG22 ' A' ' 16' ' ' ILE . 8.9 t90 -113.73 114.63 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.9 mt -81.99 103.64 11.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -68.24 122.7 18.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 115' ' ' ASN . . . -163.88 -40.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 114' ' ' GLY . 15.6 t-20 -35.49 -40.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 77.4 p -133.33 -176.15 4.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 118' ' ' SER . 17.0 ttmm -155.6 126.28 6.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 117' ' ' LYS . 57.2 m -35.79 126.65 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -51.47 145.92 12.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 112.5 3.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.2 p -166.97 143.15 4.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.3 m -65.12 144.04 57.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 m -71.45 168.95 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 p -124.03 -54.57 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.58 -98.18 0.21 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.443 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m 62.5 41.55 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -101.79 94.9 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.2 -158.72 10.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 138.91 39.16 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.76 -179.56 2.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.48 143.98 27.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 133.75 26.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.0 t -117.54 172.81 7.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.3 m 63.9 48.3 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.8 t -80.07 109.95 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -106.08 133.78 50.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.6 mt -121.0 121.45 65.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.9 m -125.47 143.28 51.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -68.5 133.11 48.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -113.01 150.36 32.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.05 -27.53 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -94.85 -14.82 24.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.1 -108.49 0.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.47 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.459 ' CD1' HD11 ' A' ' 78' ' ' LEU . 61.3 mt -129.71 133.59 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 0.0 111.149 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -103.06 98.79 8.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 tp -86.17 137.85 32.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 m -153.02 142.59 21.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 48.2 p90 -149.18 172.71 14.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -111.21 150.1 41.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 160.61 49.07 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.396 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 132.56 23.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.725 2.283 . . . . 0.0 112.286 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 t -86.4 4.91 37.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -88.95 149.76 44.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.695 0.759 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 106.33 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.644 2.229 . . . . 0.0 112.363 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.8 p -122.3 -36.96 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.72 -123.74 4.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.448 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -113.37 113.79 25.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mm -85.94 97.71 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.7 mt -38.49 -72.29 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -144.51 -175.45 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -120.92 167.54 12.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -156.7 133.27 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -114.67 143.38 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -128.59 159.1 36.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.493 HD13 ' CE1' ' A' ' 93' ' ' PHE . 16.1 tp -142.2 120.37 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.55 126.14 18.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.406 ' CG2' ' HG2' ' A' ' 61' ' ' MET . 14.0 pt -112.64 -176.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -61.87 173.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.1 t -136.55 140.04 42.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.69 146.87 9.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -76.42 141.02 41.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -160.16 121.7 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -42.95 109.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.9 t0 64.08 53.51 1.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -73.23 134.04 80.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.681 0.753 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 160.15 50.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.26 . . . . 0.0 112.367 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 61.1 m -61.19 99.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -130.44 150.23 51.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.1 mt -136.8 119.19 15.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.0 t -94.76 120.42 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.568 ' CD2' ' HD2' ' A' ' 94' ' ' ARG . 77.3 m-85 -107.13 124.59 49.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.406 ' HG2' ' CG2' ' A' ' 46' ' ' ILE . 4.0 ptt? -120.01 145.07 47.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -65.87 129.64 40.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.8 pt -111.73 -30.31 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -125.04 137.23 54.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.2 p -124.32 124.37 42.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.22 -163.66 36.98 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.37 11.18 8.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.482 ' HD3' ' N ' ' A' ' 69' ' ' THR . 7.6 tmtm? -100.79 153.07 19.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.482 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 70.4 p -82.44 20.99 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 p -124.18 133.05 53.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -127.57 160.74 30.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.512 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 25.8 m -130.36 133.47 46.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.4 t -127.15 116.87 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.8 p -85.21 170.98 12.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.47 -60.69 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -40.39 -44.53 3.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -68.86 -44.65 72.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.854 0.359 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.459 HD11 ' CD1' ' A' ' 23' ' ' ILE . 20.0 mt -51.24 -41.8 60.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.41 -39.34 32.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -73.24 -21.51 60.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.9 116.15 3.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -72.81 120.58 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 76.9 mt -103.07 140.22 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 84' ' ' ASP . 4.0 t0 -97.57 95.04 7.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 86' ' ' THR . 37.2 m-85 -76.2 -32.18 58.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 85' ' ' TYR . 83.2 m -36.15 -62.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.2 p -89.81 -68.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.453 ' CG ' ' HD2' ' A' ' 89' ' ' PRO . 31.0 ttp180 -150.19 139.35 13.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.642 0.734 . . . . 0.0 110.831 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.453 ' HD2' ' CG ' ' A' ' 88' ' ' ARG . 52.9 Cg_endo -69.81 92.7 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.265 . . . . 0.0 112.3 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.8 152.39 49.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.565 HG21 ' CZ ' ' A' ' 93' ' ' PHE . 79.8 mt -86.53 116.23 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.05 104.23 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.565 ' CZ ' HG21 ' A' ' 91' ' ' ILE . 47.3 m-85 -98.46 174.99 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.568 ' HD2' ' CD2' ' A' ' 60' ' ' PHE . 16.7 mtt180 -150.88 130.06 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 mt -133.13 135.14 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.2 t -156.11 165.71 35.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.29 138.38 52.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.143 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 55.6 tttt -101.77 117.23 34.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -109.38 172.36 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -38.85 -36.17 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -77.03 -61.42 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 174.65 -166.0 37.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.503 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 15.9 m-85 -76.73 131.59 38.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.943 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -82.3 -158.2 22.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 132.26 23.04 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.262 . . . . 0.0 112.361 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -92.66 122.59 35.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 52.3 m -78.96 131.54 36.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -97.36 121.2 38.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.451 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 14.8 tt -126.4 133.12 69.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -108.95 114.98 29.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 24.6 t90 -103.58 102.82 12.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.0 mt -57.03 111.59 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -66.65 112.3 4.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -178.92 133.72 2.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -114.83 109.71 18.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.37 . . . . 0.0 110.905 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.5 m -76.95 -44.67 30.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -132.53 135.74 46.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.9 t -41.45 -44.49 2.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 158.28 147.34 4.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 110.6 2.61 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.2 m -75.84 168.24 20.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.3 m -87.45 93.5 9.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -125.21 155.54 39.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -140.32 108.79 5.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.76 165.46 34.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.9 p -113.42 40.42 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.894 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 m -115.61 94.23 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.58 177.09 6.29 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -7.39 20.96 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.07 139.29 5.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.73 157.5 87.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 0.0 111.053 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 150.62 68.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 t -117.76 169.17 9.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m 49.62 51.67 16.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.16 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.409 HG23 ' CB ' ' A' ' 27' ' ' TRP . 90.2 t -91.09 108.86 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -122.27 155.61 35.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.471 HG22 ' CE2' ' A' ' 111' ' ' TRP . 77.0 mt -122.07 121.16 63.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.6 t -111.66 143.8 41.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -80.39 115.68 20.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -92.77 162.59 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 m -69.9 -15.4 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -101.16 -23.98 14.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.67 -103.32 0.19 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.8 mt -129.55 144.59 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 111.169 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -118.67 98.97 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tp -86.16 120.04 27.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 m -130.47 155.6 46.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.409 ' CB ' HG23 ' A' ' 14' ' ' VAL . 49.4 p90 -158.46 -179.26 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -128.16 153.39 78.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.667 0.746 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 146.57 60.23 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.25 . . . . 0.0 112.352 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 118.08 5.47 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.709 2.272 . . . . 0.0 112.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.9 t -67.03 -4.82 10.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 p -67.75 143.13 96.41 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 81.92 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.1 p -84.08 -46.97 11.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.45 -69.39 0.25 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -118.87 110.57 17.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.3 mm -97.86 109.73 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.3 mt -91.65 169.23 10.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -43.45 155.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -98.87 164.47 12.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 t -151.16 121.35 7.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.803 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -100.03 146.7 26.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 3.9 m-85 -132.3 163.55 28.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.545 HD13 ' CE1' ' A' ' 93' ' ' PHE . 49.0 tp -137.67 131.33 31.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.93 117.95 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.4 ' CD1' ' HG2' ' A' ' 61' ' ' MET . 8.5 pt -126.99 -175.61 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 48' ' ' THR . 3.0 tmt_? -111.28 88.69 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 47' ' ' ARG . 8.8 t -34.49 123.16 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.89 169.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.32 89.7 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.6 mtp -100.94 -50.23 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -141.9 170.52 15.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -73.77 73.9 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -151.22 149.65 25.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.644 0.735 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 m -119.46 136.49 54.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' LEU . 22.1 mt-30 -121.18 69.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' GLN . 20.5 mt 37.39 46.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.99 117.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -90.99 141.27 29.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.4 ' HG2' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -125.32 141.55 52.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -54.26 136.67 42.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.0 pt -126.63 -11.17 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.423 ' CD2' ' HB2' ' A' ' 71' ' ' CYS . 3.3 t80 -155.29 139.26 16.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.0 p -125.92 114.0 17.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.04 161.52 25.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -85.09 -8.42 58.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -68.04 148.59 50.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.9 p -89.52 36.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -165.9 156.31 12.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.423 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 18.2 p -155.79 171.98 19.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.8 m -122.98 130.79 53.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.4 t -115.51 106.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.6 p -71.06 172.21 9.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.68 -48.15 82.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -43.2 -45.95 6.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -65.18 -40.81 94.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.71 -28.74 66.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.5 -28.19 68.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -92.78 -12.96 29.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.18 128.91 38.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -86.94 137.98 31.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 98.2 mt -109.83 136.62 45.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -87.06 100.13 12.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 89' ' ' PRO . 33.8 m-85 -99.12 35.34 1.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.8 p -94.72 -52.21 4.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.3 m -119.09 -45.32 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -148.95 128.38 6.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.41 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.75 91.21 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.242 . . . . 0.0 112.381 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.69 146.92 36.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.554 HG23 ' CE2' ' A' ' 93' ' ' PHE . 15.7 mt -86.27 134.88 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.468 ' N ' HG21 ' A' ' 91' ' ' ILE . 89.9 t -102.21 142.01 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.554 ' CE2' HG23 ' A' ' 91' ' ' ILE . 30.0 m-85 -132.17 170.81 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 94' ' ' ARG . 0.5 OUTLIER -145.41 141.26 28.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 47.7 mt -146.9 126.67 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.0 173.42 14.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.57 ' C ' ' CD2' ' A' ' 103' ' ' TYR . . . -125.35 149.12 48.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 103' ' ' TYR . 18.4 ttmt -86.59 137.26 32.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 99' ' ' ASN . 18.7 t-20 -88.64 -74.55 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -129.15 -49.71 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.45 -29.28 5.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -150.02 -173.36 20.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.57 ' CD2' ' C ' ' A' ' 97' ' ' ALA . 1.8 m-85 -98.38 177.27 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.936 0.398 . . . . 0.0 110.897 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -115.45 -119.32 3.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 127.2 14.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.638 2.225 . . . . 0.0 112.335 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.98 123.72 44.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.084 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.48 151.42 39.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -129.91 111.44 12.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.9 tt -112.79 153.86 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -122.46 112.68 18.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.471 ' CE2' HG22 ' A' ' 16' ' ' ILE . 6.2 t90 -97.73 84.79 3.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.9 mt -59.41 97.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 89' ' ' PRO . 0.1 OUTLIER -73.86 137.95 44.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 155.76 49.04 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -119.56 126.54 51.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.5 t -85.45 108.65 17.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -129.22 101.29 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.6 t -121.85 96.21 4.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -124.44 -167.76 12.73 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.54 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 88.05 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.6 t -140.16 132.29 28.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.4 m -161.83 146.79 13.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -144.09 179.7 7.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -101.62 -57.58 2.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.02 -77.07 0.11 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 t -162.92 141.61 8.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 m -113.1 113.93 26.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.19 173.04 23.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' O ' ' CG ' ' A' ' 105' ' ' PRO . 53.5 Cg_endo -69.76 170.73 15.89 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.669 2.246 . . . . 0.0 112.367 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.22 134.77 12.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.39 150.31 82.39 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.582 0.706 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.476 ' HB3' ' CD1' ' A' ' 27' ' ' TRP . 53.8 Cg_endo -69.71 128.12 15.62 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.362 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.9 t -110.37 170.56 8.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 m 56.44 48.19 17.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -80.02 120.46 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -121.81 142.59 50.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.8 mt -118.65 119.79 62.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 t -113.35 138.15 50.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -77.04 116.71 17.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -101.03 157.18 16.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -61.7 -25.66 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -90.39 -18.36 25.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.97 -111.89 0.5 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.406 HD12 ' CD2' ' A' ' 78' ' ' LEU . 64.8 mt -129.66 133.76 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 111.124 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -108.46 99.87 9.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tp -79.04 131.55 36.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.0 m -141.2 149.56 41.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.476 ' CD1' ' HB3' ' A' ' 11' ' ' PRO . 47.5 p90 -155.58 169.74 23.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -110.7 148.23 38.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 157.08 61.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 151.84 69.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.32 -42.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.47 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -70.77 -60.77 2.81 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.68 0.752 . . . . 0.0 110.852 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 32' ' ' SER . 53.7 Cg_endo -69.8 -166.11 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' PRO . 1.4 t -35.13 142.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -102.87 -38.54 2.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.441 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -73.69 118.6 16.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.3 mm -129.53 93.82 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.4 mt -44.21 -60.34 1.95 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -150.71 174.18 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -123.86 165.47 17.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -157.94 139.39 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.533 ' C ' ' CD1' ' A' ' 43' ' ' TYR . . . -112.45 156.76 22.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.07 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.533 ' CD1' ' C ' ' A' ' 42' ' ' ALA . 1.6 m-85 -143.94 151.81 40.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.966 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.621 ' CD1' ' CE1' ' A' ' 93' ' ' PHE . 13.5 tp -128.99 130.31 46.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.47 135.31 55.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.11 178.09 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -107.91 127.44 53.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.8 p -133.39 157.94 44.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.18 107.81 18.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -163.87 131.2 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.6 ttm -69.45 149.27 48.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -160.18 177.55 10.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -127.62 38.82 3.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -114.42 151.35 45.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.644 0.735 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -46.22 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.694 2.263 . . . . 0.0 112.37 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 t -152.87 110.1 3.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -127.96 150.53 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.5 mt -139.12 109.47 6.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.4 p -80.79 119.68 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.409 ' CE2' ' CG ' ' A' ' 94' ' ' ARG . 52.8 m-85 -104.99 115.18 29.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -94.25 137.97 32.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -63.05 135.86 57.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.3 pt -125.53 -4.26 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -149.33 133.6 17.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.4 p -125.86 109.58 12.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.06 -178.61 48.84 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -105.55 -8.26 18.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.93 0.395 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -68.27 147.22 52.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.7 p -94.28 36.23 1.15 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.8 p -163.78 125.24 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.5 p -133.04 171.15 14.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.0 m -124.96 130.79 53.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.8 t -104.39 117.65 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 64.9 p -77.1 164.54 25.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.67 98.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.63 -36.79 25.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -80.3 -38.88 29.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.406 ' CD2' HD12 ' A' ' 23' ' ' ILE . 37.6 mt -56.02 -39.42 71.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.63 -38.16 59.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -80.65 -15.73 55.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.11 114.4 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.064 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -78.65 119.29 21.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.7 mt -90.89 128.67 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -73.37 113.53 10.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -107.46 31.49 5.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.7 t -102.35 -28.6 12.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.193 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 m -132.59 -48.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.8 mtm-85 -152.52 127.92 4.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.582 0.706 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 81.77 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.67 2.247 . . . . 0.0 112.319 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.95 166.24 24.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.437 HG23 ' CE2' ' A' ' 93' ' ' PHE . 80.0 mt -86.13 120.34 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 97.8 t -92.89 124.58 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.621 ' CE1' ' CD1' ' A' ' 44' ' ' LEU . 36.8 m-85 -114.9 166.05 12.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.409 ' CG ' ' CE2' ' A' ' 60' ' ' PHE . 21.1 mmt180 -142.43 119.77 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.415 ' CG2' ' HG3' ' A' ' 11' ' ' PRO . 16.4 mt -128.61 144.45 37.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.1 t -156.14 174.21 15.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -111.79 158.8 18.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.549 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 19.8 tttp -111.05 132.45 54.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 100' ' ' GLU . 39.7 m-20 -122.59 166.12 15.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' ASN . 22.5 tt0 -36.44 -38.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 102' ' ' GLY . 1.0 OUTLIER -85.22 -52.66 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' A' ' 101' ' ' LYS . . . 161.95 -159.57 31.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.549 ' CE1' ' HG3' ' A' ' 98' ' ' LYS . 88.0 m-85 -85.11 158.03 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.944 0.402 . . . . 0.0 110.955 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -143.17 -95.06 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.422 ' CG ' ' O ' ' A' ' 8' ' ' PRO . 54.5 Cg_endo -69.68 125.4 12.14 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.68 2.253 . . . . 0.0 112.39 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.07 158.35 21.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.13 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.1 m -118.45 132.74 56.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -113.12 130.56 56.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.41 ' CG1' ' N ' ' A' ' 110' ' ' ARG . 16.0 tt -121.16 162.86 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.41 ' N ' ' CG1' ' A' ' 109' ' ' ILE . 52.2 mtt180 -129.9 104.74 7.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -101.2 104.4 15.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.0 123.11 22.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -50.35 137.31 18.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -97.13 99.94 2.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -58.4 100.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 79.7 p -167.32 142.96 4.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -92.89 104.13 16.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.7 p -46.54 -38.63 9.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 75.67 165.39 17.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.504 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 167.1 25.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.281 . . . . 0.0 112.329 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 99.4 p -133.33 23.41 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.3 m -161.02 134.47 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.458 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 m -122.64 144.35 49.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t -131.92 148.71 52.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.38 78.07 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -138.91 139.88 38.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.828 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 m 50.08 42.02 24.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.76 -157.47 14.08 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.53 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -179.24 2.76 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.692 2.261 . . . . 0.0 112.332 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.57 -167.38 39.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.456 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.04 155.88 36.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 111.137 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 124.22 10.88 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -110.13 159.97 16.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 m 63.89 44.83 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.4 t -83.37 105.59 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -106.6 150.14 26.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.413 HD12 ' CD1' ' A' ' 111' ' ' TRP . 55.7 mt -132.1 134.26 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -135.02 124.22 24.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -68.98 126.06 28.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -107.87 164.85 11.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.0 t -61.65 -41.79 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -71.41 -29.0 64.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.72 -117.83 0.68 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.465 HD12 ' CZ3' ' A' ' 111' ' ' TRP . 65.6 mt -125.59 143.11 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -111.4 114.15 27.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tp -104.78 124.55 49.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.4 p -131.75 146.78 52.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.462 ' NE1' ' HA ' ' A' ' 69' ' ' THR . 49.4 p90 -147.25 -176.24 5.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -147.75 155.03 44.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 157.42 60.47 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -49.54 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.38 159.3 42.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.465 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -72.6 -60.79 1.9 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 110.848 -179.833 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 35' ' ' GLY . 53.4 Cg_endo -69.84 2.9 3.16 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.665 2.243 . . . . 0.0 112.354 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 33' ' ' PRO . 55.7 p -34.17 -34.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . 133.49 -145.21 17.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -107.65 87.93 2.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.348 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.502 HG21 ' CE1' ' A' ' 40' ' ' TYR . 83.3 mt -79.28 88.41 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 37' ' ' ILE . 84.6 mt -34.36 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -146.48 156.79 43.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.502 ' CE1' HG21 ' A' ' 37' ' ' ILE . 5.5 m-85 -97.61 169.04 9.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.2 t -143.29 136.07 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.75 110.49 16.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -96.56 152.6 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 45' ' ' ALA . 8.9 tp -134.44 106.4 7.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 44' ' ' LEU . . . -35.98 132.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.4 pt -126.34 139.18 52.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 48' ' ' THR . 5.1 tmm_? -63.18 139.81 58.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.453 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 9.5 t -61.4 147.8 43.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.61 41.55 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -166.15 152.83 9.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.8 mtp -104.14 121.38 43.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.14 123.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.14 103.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.7 p30 -137.14 151.69 72.29 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.601 0.715 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 172.34 12.83 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.701 2.268 . . . . 0.0 112.38 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m -53.2 101.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -146.08 141.24 27.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.1 mt -132.3 120.93 22.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 60' ' ' PHE . 92.2 t -85.34 135.53 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.423 ' N ' HG13 ' A' ' 59' ' ' VAL . 44.5 m-85 -116.48 141.38 48.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -128.82 153.29 47.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -76.33 127.05 32.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 64' ' ' TYR . 43.1 pt -111.92 -36.14 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.451 ' N ' HG13 ' A' ' 63' ' ' ILE . 11.9 t80 -125.13 135.25 52.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.4 p -127.93 121.68 30.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 168.25 -170.82 42.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.65 18.18 8.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' SER . 20.9 tptt -77.17 8.38 4.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.462 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 3.4 p 41.61 24.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' LYS . 87.3 p -171.76 144.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.435 ' HB3' ' CD2' ' A' ' 64' ' ' TYR . 15.2 p -150.63 172.01 16.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.8 m -124.75 131.75 53.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.103 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.4 t -107.06 135.73 44.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.0 p -98.15 171.9 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -59.53 -54.33 47.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.057 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.15 -57.07 1.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -66.62 -43.1 85.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.949 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.402 HD11 ' CD1' ' A' ' 23' ' ' ILE . 13.6 mt -47.48 -44.9 25.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.89 -39.39 18.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -71.71 -26.66 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.45 141.27 43.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 2.5 t60 -93.3 116.18 28.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.46 HG23 ' CZ ' ' A' ' 85' ' ' TYR . 86.6 mt -94.01 126.22 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -86.02 120.99 28.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.46 ' CZ ' HG23 ' A' ' 83' ' ' ILE . 55.5 m-85 -114.09 40.19 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.1 m -87.37 -58.9 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.8 p -113.8 -45.45 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -147.19 132.68 9.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.447 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.81 97.31 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.9 155.53 45.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.566 HG22 ' CE2' ' A' ' 93' ' ' PHE . 72.7 mt -88.3 139.25 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.447 ' N ' HG23 ' A' ' 91' ' ' ILE . 90.3 t -95.17 140.87 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.566 ' CE2' HG22 ' A' ' 91' ' ' ILE . 48.3 m-85 -139.07 146.84 41.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -131.41 135.89 47.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 32.1 mt -140.9 143.12 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.8 p -152.65 174.96 13.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -127.11 131.37 50.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -111.51 131.96 54.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -102.01 -71.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -130.97 -59.0 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -65.9 -58.95 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -175.48 -156.05 13.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -93.2 146.62 23.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.922 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.09 -133.71 2.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 133.66 26.11 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.704 2.269 . . . . 0.0 112.383 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.93 122.63 43.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.439 HG21 ' N ' ' A' ' 108' ' ' GLN . 89.3 m -84.98 137.17 33.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.439 ' N ' HG21 ' A' ' 107' ' ' THR . 33.1 tt0 -109.86 118.38 36.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.4 tt -119.51 141.46 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -109.57 93.87 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.465 ' CZ3' HD12 ' A' ' 23' ' ' ILE . 22.8 t90 -75.71 118.13 18.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 71.2 mt -74.93 121.05 21.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -56.04 119.32 5.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.61 171.69 54.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -126.01 83.49 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.1 p -162.74 145.97 11.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -142.72 106.11 4.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.8 t -134.75 156.8 48.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 160.04 98.35 0.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.476 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 173.48 10.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.8 t -66.2 120.25 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 123' ' ' GLY . 1.5 t -166.32 150.9 7.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 122' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.531 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -89.28 42.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.825 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -71.64 92.42 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.47 -45.37 0.32 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -79.79 44.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -71.29 -45.59 62.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.6 144.86 17.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -3.25 11.66 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.233 . . . . 0.0 112.37 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.55 152.88 0.32 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.88 152.29 50.95 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.592 0.71 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 153.53 68.82 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.0 m -135.83 158.92 43.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 m 70.24 45.06 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.6 t -74.21 130.58 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -132.38 131.44 41.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.8 mt -114.45 132.85 62.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.1 m -123.49 127.55 48.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -67.64 127.07 31.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -111.96 145.24 39.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.7 t -51.45 -40.55 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -72.52 -29.83 63.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.63 -121.41 0.87 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.475 HD11 ' CD1' ' A' ' 78' ' ' LEU . 79.7 mt -118.4 141.47 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.468 ' N ' HG22 ' A' ' 23' ' ' ILE . 57.1 t-80 -118.26 102.82 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.33 141.56 28.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -150.25 161.54 42.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.481 ' CE2' ' HA ' ' A' ' 69' ' ' THR . 41.5 p90 -170.97 171.57 5.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -117.42 149.98 45.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.602 0.715 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 159.95 51.52 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.663 2.242 . . . . 0.0 112.364 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 159.36 53.67 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.323 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.1 t -81.59 -34.6 30.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.427 ' C ' ' H ' ' A' ' 34' ' ' SER . 11.2 t -39.02 145.39 0.38 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.699 0.761 . . . . 0.0 110.871 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 35' ' ' GLY . 53.1 Cg_endo -69.74 8.79 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.301 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.427 ' H ' ' C ' ' A' ' 32' ' ' SER . 1.2 t -56.05 83.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -89.68 43.46 2.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -131.66 28.46 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.5 mt -86.6 91.49 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.3 mt -52.84 -66.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -148.68 166.78 27.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -103.96 164.77 11.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 t -143.88 149.02 36.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.25 115.87 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -103.03 145.67 29.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.546 HD13 ' CE1' ' A' ' 93' ' ' PHE . 11.1 tp -129.91 115.7 17.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.48 ' HB2' ' CE1' ' A' ' 82' ' ' HIS . . . -55.44 135.14 50.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -121.71 152.04 25.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -64.34 155.04 33.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.8 t -133.09 147.23 52.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 87.42 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -141.36 159.94 41.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 52' ' ' GLN . 21.8 ptm -114.75 -40.75 3.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.457 ' N ' ' HG3' ' A' ' 51' ' ' MET . 34.9 mt-30 -65.68 125.75 26.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 8.9 p-10 -47.62 105.22 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -59.26 147.94 73.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.716 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -167.23 0.21 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.3 m -79.98 45.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -125.24 151.0 46.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.573 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 15.2 mt -146.8 109.85 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.8 t -80.0 136.52 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CE1' ' O ' ' A' ' 58' ' ' LEU . 19.9 m-85 -118.62 140.81 49.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -106.46 145.56 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -73.41 120.32 18.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 64' ' ' TYR . 41.6 pt -107.26 -37.8 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.531 ' CD1' ' SG ' ' A' ' 71' ' ' CYS . 1.7 t80 -130.0 137.72 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.3 t -129.11 106.87 9.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.31 159.26 22.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.479 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.16 21.84 5.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.903 0.382 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -75.53 7.3 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.481 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 25.4 p 43.78 26.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.1 m -159.31 155.45 26.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.531 ' SG ' ' CD1' ' A' ' 64' ' ' TYR . 68.5 m -144.3 169.86 17.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.6 m -135.91 123.82 22.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.7 t -124.21 121.4 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 48.0 p -101.78 175.1 5.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -47.12 -54.46 10.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.69 -62.62 0.79 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -66.87 -45.84 76.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.475 ' CD1' HD11 ' A' ' 23' ' ' ILE . 23.7 mt -44.83 -45.26 10.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.0 -39.56 20.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -72.44 -28.84 63.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.03 137.01 48.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.557 ' CD2' ' OD1' ' A' ' 84' ' ' ASP . 7.4 p-80 -81.08 146.33 30.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 50.1 mm -108.6 106.45 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.557 ' OD1' ' CD2' ' A' ' 82' ' ' HIS . 7.1 m-20 -74.2 97.65 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 87' ' ' SER . 33.5 m-85 -83.94 20.87 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.964 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.6 m -59.13 78.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 85' ' ' TYR . 1.1 t 53.59 25.04 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.413 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 34.9 ttm180 -178.98 104.99 0.2 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.708 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.4 Cg_endo -69.79 94.79 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.419 ' HB1' ' C ' ' A' ' 111' ' ' TRP . . . -142.22 173.19 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.48 HG23 ' CE2' ' A' ' 93' ' ' PHE . 75.3 mt -111.97 133.7 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.5 t -90.88 121.08 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.546 ' CE1' HD13 ' A' ' 44' ' ' LEU . 54.6 m-85 -117.67 155.67 29.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.433 ' HD2' ' CD1' ' A' ' 60' ' ' PHE . 9.7 ttt180 -133.16 136.93 46.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.43 HG13 ' C ' ' A' ' 94' ' ' ARG . 30.3 mt -143.13 134.08 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.5 t -148.48 165.13 32.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.24 140.07 38.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 39.4 tttp -98.32 130.82 44.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.444 ' ND2' ' HB2' ' A' ' 101' ' ' LYS . 16.0 p-10 -127.37 169.03 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' ASN . 15.6 mt-10 -37.73 -40.03 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.444 ' HB2' ' ND2' ' A' ' 99' ' ' ASN . 0.5 OUTLIER -68.16 -63.12 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 176.96 -97.04 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 25.3 m-85 -141.33 122.46 14.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.391 . . . . 0.0 110.938 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.38 -151.67 3.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 127.53 14.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -89.28 153.82 20.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.067 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.3 m -116.62 135.55 53.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.4 ' NE2' HH11 ' A' ' 110' ' ' ARG . 0.2 OUTLIER -107.21 145.97 31.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.1 tt -145.12 144.4 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.4 HH11 ' NE2' ' A' ' 108' ' ' GLN . 0.8 OUTLIER -106.99 117.14 33.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.419 ' C ' ' HB1' ' A' ' 90' ' ' ALA . 26.3 t90 -107.87 98.28 7.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mt -44.55 126.27 5.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.55 -50.19 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 119.6 124.2 3.21 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 116' ' ' SER . 1.3 p30 -42.48 -48.05 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.38 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 115' ' ' ASN . 57.5 m -34.96 101.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.61 154.6 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.3 m -106.56 -44.09 4.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 73.65 145.82 0.87 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.542 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -176.69 1.56 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.385 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.5 m -169.4 173.57 6.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.7 t -155.16 149.98 26.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.466 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.2 p -55.78 -33.49 64.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 110.88 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -93.82 82.46 4.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.12 -126.47 8.31 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.431 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 p -109.18 140.15 43.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 p -67.57 80.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.22 162.72 12.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.449 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 53.9 Cg_endo -69.78 121.16 7.85 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -41.2 148.02 0.31 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.5 147.22 87.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.621 0.724 . . . . 0.0 111.081 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 153.72 68.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.2 t -128.33 160.03 33.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.5 m 71.44 44.38 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.99 108.43 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -107.27 142.67 36.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.448 HG21 ' N ' ' A' ' 17' ' ' SER . 79.1 mt -125.93 143.33 39.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.448 ' N ' HG21 ' A' ' 16' ' ' ILE . 57.5 m -150.26 119.11 6.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -66.42 131.13 45.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -113.59 169.09 9.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.432 HG21 ' N ' ' A' ' 21' ' ' ASP . 24.5 m -62.68 -29.87 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' N ' HG21 ' A' ' 20' ' ' VAL . 1.7 m-20 -83.18 -28.59 29.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.24 -113.53 0.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 54.9 mt -122.15 139.84 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.113 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -112.73 96.98 6.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.402 ' CD1' HG12 ' A' ' 16' ' ' ILE . 1.7 tp -89.33 151.03 22.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.7 t -154.28 162.65 41.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 43.5 p90 -167.94 163.27 13.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -106.22 147.94 35.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.648 0.737 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 153.09 69.38 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.736 2.29 . . . . 0.0 112.326 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 98.49 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.709 2.272 . . . . 0.0 112.365 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.3 t -43.02 -43.77 4.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.1 p -50.77 138.16 23.87 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.705 0.764 . . . . 0.0 110.842 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 87.4 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t -97.96 41.71 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.34 -141.01 45.51 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -100.74 112.83 25.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 38' ' ' LEU . 50.2 mm -70.83 91.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 37' ' ' ILE . 76.2 mt -34.12 -56.27 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -169.52 176.47 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -111.83 167.96 9.95 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -158.05 145.76 18.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.58 131.23 52.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -115.45 146.36 41.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.575 HD13 ' CE1' ' A' ' 93' ' ' PHE . 37.0 tp -122.81 110.23 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.77 124.04 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.036 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.7 pt -123.84 139.54 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.469 ' N ' ' HB2' ' A' ' 82' ' ' HIS . 12.2 ptm180 -72.15 166.35 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.1 t -174.42 120.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.65 102.96 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -160.91 130.14 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -40.47 128.89 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -79.33 95.45 5.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -59.64 -54.52 45.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -146.14 143.69 19.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.652 0.739 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 175.85 7.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.242 . . . . 0.0 112.338 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.2 t 60.99 40.73 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -149.69 148.63 29.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.4 mt -148.19 171.92 15.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.3 t -119.97 98.82 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.532 ' CE2' ' HG3' ' A' ' 94' ' ' ARG . 19.8 m-85 -94.12 157.61 16.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -142.59 144.21 32.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -65.25 121.52 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 64' ' ' TYR . 32.6 pt -106.41 -35.48 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.454 ' N ' HG13 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -125.15 147.5 49.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.5 p -129.02 123.42 32.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.16 176.42 40.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.25 15.32 26.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -79.27 160.73 26.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.3 p -103.39 12.99 34.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.8 m -161.87 123.75 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 23.5 p -124.38 172.26 9.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.6 m -122.91 127.32 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.193 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 91.5 t -102.1 136.38 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.5 p -95.0 166.16 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -63.48 -52.02 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.78 -42.28 0.49 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -76.48 -45.08 32.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.9 mt -43.42 -44.09 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.76 -43.48 48.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -72.61 -26.42 61.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.35 144.82 45.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.469 ' HB2' ' N ' ' A' ' 47' ' ' ARG . 10.9 t60 -84.9 145.08 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.1 mm -113.47 100.08 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -74.64 98.27 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.55 ' O ' ' N ' ' A' ' 87' ' ' SER . 32.6 m-85 -83.19 18.98 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 66.0 m -56.24 77.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 85' ' ' TYR . 16.4 m 53.21 25.0 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.459 ' HG2' ' CD2' ' A' ' 112' ' ' LEU . 22.2 ttt180 -178.31 105.01 0.21 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.613 0.721 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.8 Cg_endo -69.74 96.03 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.638 2.225 . . . . 0.0 112.347 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.13 168.42 19.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 71.0 mt -103.84 132.47 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.501 HG12 ' CZ ' ' A' ' 60' ' ' PHE . 66.7 t -88.1 139.32 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.575 ' CE1' HD13 ' A' ' 44' ' ' LEU . 26.7 m-85 -136.93 166.72 22.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.532 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 45.4 mtt-85 -158.09 126.53 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.7 mt -125.98 137.05 58.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 t -145.79 164.59 31.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.449 ' O ' ' CG ' ' A' ' 8' ' ' PRO . . . -123.79 166.17 16.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -109.99 141.55 42.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -117.08 -71.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -134.88 -59.21 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -80.91 -52.21 7.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -169.98 -129.77 1.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 97' ' ' ALA . 27.7 m-85 -113.54 156.61 23.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.912 0.387 . . . . 0.0 110.946 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.93 -112.62 2.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 131.61 21.54 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.254 . . . . 0.0 112.342 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.76 132.59 52.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.7 m -82.45 113.35 20.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -95.03 148.46 22.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.2 tt -159.6 148.97 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -119.31 105.04 10.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -87.37 108.39 18.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 88' ' ' ARG . 14.3 mt -61.08 111.81 1.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -112.34 164.67 12.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -111.9 -90.0 1.91 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.549 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -122.21 132.75 54.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.2 t -98.22 145.38 26.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.86 128.91 34.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.0 m -118.43 162.79 17.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 135.36 84.81 0.19 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -26.78 27.37 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.0 p 48.24 42.36 17.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.0 m -83.06 113.1 20.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.925 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 p -128.1 90.59 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -164.41 121.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.6 -147.68 6.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.4 t -74.14 -55.85 5.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.844 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 m -63.74 148.71 48.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.41 -116.72 0.53 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -171.41 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.387 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.45 143.63 17.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.57 153.07 85.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 135.58 30.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -115.71 172.58 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 m 47.83 51.55 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -79.81 121.12 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.68 148.9 29.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.3 mt -134.55 125.89 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -137.59 117.31 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -65.52 134.5 53.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.956 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -105.0 161.78 13.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.3 t -60.63 -9.99 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -108.07 -1.78 20.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.93 -120.3 1.3 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.6 mt -123.63 143.92 35.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.89 0.376 . . . . 0.0 111.109 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -124.57 105.58 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 tp -86.59 130.01 34.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.7 p -134.33 160.45 37.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 26.5 p90 -169.82 175.62 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -119.93 148.7 47.2 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.45 48.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.727 2.285 . . . . 0.0 112.357 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 147.93 64.38 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.8 t -134.2 -45.79 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.481 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -51.9 -60.63 5.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.662 0.744 . . . . 0.0 110.849 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 32' ' ' SER . 53.6 Cg_endo -69.82 -50.38 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.246 . . . . 0.0 112.317 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t -163.83 145.73 9.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.43 -39.77 1.44 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.522 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -63.71 90.06 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.4 mm -113.6 101.26 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.9 mt -43.86 -56.51 3.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -152.84 178.74 9.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -129.04 166.68 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.6 p -163.68 147.88 10.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -116.2 162.34 17.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -143.68 159.85 41.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.464 HD23 ' CB ' ' A' ' 81' ' ' ALA . 12.7 tp -146.78 136.66 23.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -78.41 127.13 31.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.72 147.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.6 ptt85 -98.16 137.09 37.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.9 p -106.36 149.13 27.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.32 42.7 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -111.51 131.22 55.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.4 115.15 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -162.61 130.12 3.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -82.99 86.12 7.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -139.62 142.11 30.54 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.615 0.722 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 166.87 26.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.234 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.1 t -62.41 90.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -124.98 93.18 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.3 mt -41.87 116.62 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.1 t -106.94 118.0 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.466 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 27.4 m-85 -102.34 135.78 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -114.74 149.44 36.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -71.15 112.75 7.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.2 pt -101.09 -12.41 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.443 ' CD2' ' HB2' ' A' ' 71' ' ' CYS . 18.8 t80 -149.48 132.29 16.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.5 t -128.49 102.63 6.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -172.08 166.63 39.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.44 -28.4 28.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.99 140.43 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.2 p -88.84 40.84 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 92.1 p -169.05 128.04 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.443 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 19.7 p -129.62 171.53 12.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.0 m -126.74 137.45 53.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.3 t -112.37 121.11 64.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.2 p -82.68 152.63 25.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -46.78 -54.42 9.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.06 -37.01 7.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -72.05 -47.13 53.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 110.933 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.0 mt -52.29 -43.59 64.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.89 -38.69 10.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -73.07 -26.35 61.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.464 ' CB ' HD23 ' A' ' 44' ' ' LEU . . . -65.68 143.07 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -94.64 146.59 24.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.9 mt -113.47 117.72 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -72.8 114.93 11.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -106.33 38.12 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.5 m -90.23 -58.32 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.0 t -121.26 -48.02 2.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.467 ' NE ' HD11 ' A' ' 112' ' ' LEU . 2.6 ttt85 -139.2 123.99 11.55 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 83.87 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.412 ' HB1' ' C ' ' A' ' 111' ' ' TRP . . . -128.09 164.64 21.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.092 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 88.2 mt -89.85 131.7 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.0 t -90.62 106.19 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -101.12 160.46 14.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.42 ' HG3' ' CD2' ' A' ' 60' ' ' PHE . 24.5 mmt180 -140.06 125.53 19.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.5 mt -135.97 141.73 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.7 t -142.95 -178.09 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -132.32 138.67 47.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -84.36 142.42 30.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -112.17 -61.38 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -123.73 -64.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -124.01 -23.99 4.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.33 -169.79 12.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -114.97 161.34 18.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.949 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.408 ' HA3' ' HD2' ' A' ' 105' ' ' PRO . . . -86.15 -141.92 6.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.408 ' HD2' ' HA3' ' A' ' 104' ' ' GLY . 53.4 Cg_endo -69.81 140.35 42.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 2.249 . . . . 0.0 112.306 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.66 125.17 45.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 99.0 m -79.33 137.37 37.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.185 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -109.69 118.61 37.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.1 tt -118.22 154.35 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -122.28 98.91 6.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.412 ' C ' ' HB1' ' A' ' 90' ' ' ALA . 34.1 t90 -91.64 117.03 29.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.467 HD11 ' NE ' ' A' ' 88' ' ' ARG . 0.5 OUTLIER -53.75 101.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -64.28 -41.91 96.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 53.35 -138.05 36.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -128.0 154.52 45.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 86.3 p -115.62 110.89 19.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -70.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 t -93.95 140.41 29.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -135.03 -113.45 1.33 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.431 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 146.23 59.9 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.8 p -114.81 118.2 32.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.9 p -50.72 158.37 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 1' ' ' GLY . 18.3 t -36.13 105.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -151.92 159.7 43.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.61 143.58 2.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -94.62 -46.74 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.822 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 m -112.39 99.63 8.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.76 -154.6 7.35 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 53.4 Cg_endo -69.73 179.72 3.48 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.11 162.22 12.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.15 145.57 36.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.556 0.693 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 144.46 53.82 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.72 2.28 . . . . 0.0 112.299 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.4 p -132.18 166.85 20.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.9 m 65.62 40.1 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 15' ' ' ARG . 99.0 t -70.93 134.91 29.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.426 ' N ' HG13 ' A' ' 14' ' ' VAL . 44.9 mtp180 -130.71 141.76 50.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.7 mt -128.73 120.91 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 t -118.33 155.07 31.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.3 127.2 32.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -105.04 147.98 27.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.6 t -54.59 -39.16 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -79.77 -28.04 40.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.43 -101.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.494 HD12 ' CZ3' ' A' ' 111' ' ' TRP . 58.8 mt -126.4 140.07 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 111.089 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -110.97 100.61 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tp -85.04 141.03 30.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -147.49 162.49 38.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.4 p90 -165.8 177.59 7.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -125.37 154.85 72.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.674 0.749 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 148.34 64.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 148.03 64.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.385 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.0 t -96.02 91.27 5.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 m -157.1 158.12 30.92 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.662 0.744 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 34' ' ' SER . 53.9 Cg_endo -69.74 4.41 2.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.393 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 33' ' ' PRO . 23.8 p -31.9 146.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.85 -110.74 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -102.95 120.55 40.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.4 mm -87.97 104.97 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 39' ' ' GLU . 11.6 mt -76.27 175.77 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' LEU . 8.0 mp0 -37.19 153.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -95.49 169.02 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 t -135.79 123.43 22.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.816 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.2 120.12 41.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -109.47 163.69 13.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.511 HD13 ' CE1' ' A' ' 93' ' ' PHE . 10.4 tp -145.21 119.37 9.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.583 ' CB ' ' CE2' ' A' ' 60' ' ' PHE . . . -54.2 128.9 32.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.9 pp -140.2 176.9 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -115.26 136.03 53.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.7 t -117.39 122.03 42.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.94 98.32 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.066 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -131.79 -39.41 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.6 mtt 62.99 44.05 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -125.0 157.1 36.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -55.93 90.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.68 154.56 43.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -178.66 2.43 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.395 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.4 t -98.53 43.19 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 58' ' ' LEU . 2.4 mp0 -124.46 92.26 3.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 57' ' ' GLN . 2.7 mt -34.17 125.16 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.1 t -84.16 113.91 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.583 ' CE2' ' CB ' ' A' ' 45' ' ' ALA . 5.0 m-85 -95.4 155.73 16.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.79 127.59 37.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.407 ' C ' ' HD2' ' A' ' 62' ' ' ARG . 7.4 tmm_? -49.92 126.53 14.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 64' ' ' TYR . 25.7 pt -108.61 -33.15 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.453 ' N ' HG13 ' A' ' 63' ' ' ILE . 9.8 t80 -137.22 136.07 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 16.2 p -127.9 88.2 2.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.426 ' N ' ' CE1' ' A' ' 64' ' ' TYR . . . -150.22 167.41 30.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.487 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' A' ' 68' ' ' LYS . 1.3 pt? -84.8 -34.73 22.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.446 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -45.32 148.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.842 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.8 p -92.05 39.21 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -158.58 125.01 4.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 72' ' ' THR . 0.5 OUTLIER -121.38 161.0 22.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.517 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 50.7 m -126.83 144.11 51.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.447 HG11 ' N ' ' A' ' 74' ' ' THR . 54.5 t -128.02 140.38 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.447 ' N ' HG11 ' A' ' 73' ' ' VAL . 61.8 p -111.11 169.5 8.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.94 -51.12 71.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.87 -40.52 1.08 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -85.49 -48.63 8.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' ALA . 19.8 mt -41.11 -52.72 3.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.36 -39.66 7.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -71.06 -27.87 63.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 78' ' ' LEU . . . -61.22 133.78 56.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -72.63 104.75 4.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.4 mm -76.8 104.29 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.57 94.85 2.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.463 ' O ' ' N ' ' A' ' 87' ' ' SER . 14.2 m-85 -81.36 10.36 5.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 60.8 p -52.07 86.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' TYR . 17.0 m 44.6 24.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.455 ' CG ' HD22 ' A' ' 112' ' ' LEU . 20.1 ttm180 -178.37 105.02 0.21 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.725 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 90.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.73 172.09 13.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 84.8 mt -114.99 142.16 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 76.7 t -102.3 121.38 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.511 ' CE1' HD13 ' A' ' 44' ' ' LEU . 56.4 m-85 -112.01 166.74 10.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.468 ' HG3' ' CD2' ' A' ' 60' ' ' PHE . 15.7 mmt180 -141.34 136.05 31.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.413 HG13 ' C ' ' A' ' 94' ' ' ARG . 35.1 mt -142.92 134.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.4 m -150.02 162.04 41.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.32 155.65 18.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.091 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.526 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 23.1 tttp -118.12 127.06 53.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.447 ' ND2' ' HB3' ' A' ' 8' ' ' PRO . 11.9 m-20 -121.12 169.4 10.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 99' ' ' ASN . 5.4 mm-40 -36.79 -40.65 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -72.2 -62.4 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 171.71 -117.19 0.66 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.526 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 73.4 m-85 -126.12 135.63 51.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.385 . . . . 0.0 110.926 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -104.32 -121.42 4.92 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 136.15 32.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -101.4 145.16 29.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 62.8 m -109.91 133.97 52.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -116.51 155.5 28.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.3 tt -154.69 149.44 12.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 43.5 mtm-85 -112.39 131.38 55.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.494 ' CZ3' HD12 ' A' ' 23' ' ' ILE . 40.9 t90 -126.09 100.89 6.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.455 HD22 ' CG ' ' A' ' 88' ' ' ARG . 7.1 mt -52.04 128.32 24.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -65.32 149.15 50.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -134.11 141.77 13.15 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.432 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -62.15 121.36 12.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.359 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.8 t -160.14 141.29 12.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -168.87 134.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.5 t -173.94 129.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -110.21 120.02 5.52 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 163.97 36.26 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 45.5 t -104.44 123.23 47.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.1 p -148.17 158.42 44.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.43 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 m -54.47 157.28 2.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m -93.52 105.09 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.01 128.83 6.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -43.77 -61.93 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -136.13 132.74 36.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.31 154.36 16.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -18.81 36.91 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.733 2.288 . . . . 0.0 112.325 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.93 164.72 12.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.47 154.52 37.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 121.11 7.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.258 . . . . 0.0 112.313 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 t -106.62 164.38 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.7 m 66.17 38.45 4.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.3 t -79.0 110.27 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -119.43 133.14 55.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.518 HG22 ' CE2' ' A' ' 111' ' ' TRP . 66.7 mt -112.78 123.23 68.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.5 m -117.07 124.78 50.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -69.63 119.98 14.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -101.24 149.31 24.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -53.14 -38.91 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -75.48 -29.91 59.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.85 -127.36 1.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.441 HG21 ' N ' ' A' ' 24' ' ' HIS . 57.2 mt -116.32 138.41 46.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 111.186 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.441 ' N ' HG21 ' A' ' 23' ' ' ILE . 28.7 t-80 -115.64 100.22 7.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tp -83.86 141.9 30.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 m -151.62 157.51 42.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.512 ' CE2' ' HA ' ' A' ' 69' ' ' THR . 49.1 p90 -164.32 178.22 7.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -129.69 155.86 79.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.5 69.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.707 2.272 . . . . 0.0 112.376 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 31' ' ' THR . 53.3 Cg_endo -69.76 -162.72 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -31.29 138.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.469 ' CB ' ' CD ' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -37.92 -61.47 0.79 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.709 0.766 . . . . 0.0 110.848 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 32' ' ' SER . 53.7 Cg_endo -69.75 -51.19 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.264 . . . . 0.0 112.37 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 33' ' ' PRO . 3.0 m 32.97 45.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.28 -118.7 13.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -125.95 119.34 27.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.49 HG21 ' CE1' ' A' ' 40' ' ' TYR . 25.3 mm -96.33 112.08 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.8 mt -80.68 -55.95 4.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -168.16 166.39 12.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.49 ' CE1' HG21 ' A' ' 37' ' ' ILE . 82.7 m-85 -114.91 167.67 10.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.9 p -162.77 144.74 10.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.51 140.11 39.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -121.2 162.89 19.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.0 tp -147.4 119.58 8.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.568 ' HB1' ' CZ ' ' A' ' 60' ' ' PHE . . . -60.6 120.45 10.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.43 HD13 ' C ' ' A' ' 46' ' ' ILE . 2.4 pp -138.91 140.89 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -175.82 162.77 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 t -68.56 140.54 55.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.01 108.85 21.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -104.17 -59.02 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.8 ptp -128.68 176.72 7.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -39.56 -44.22 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -168.96 137.04 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -110.1 142.3 25.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 89.42 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 m -165.85 150.59 8.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' LEU . 6.8 mp0 -71.34 100.31 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 57' ' ' GLN . 10.5 mt -34.75 111.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.6 m -78.74 144.73 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.568 ' CZ ' ' HB1' ' A' ' 45' ' ' ALA . 4.0 m-85 -123.42 145.25 48.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.474 ' CE ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -123.35 140.34 53.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -62.78 126.94 29.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.474 HG22 ' CE ' ' A' ' 61' ' ' MET . 40.8 pt -104.72 -35.99 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.525 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -143.92 145.56 32.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.2 p -129.04 123.92 33.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.59 164.19 20.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.79 18.47 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 70' ' ' SER . 35.2 tttt -74.99 5.48 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.512 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 63.6 p 38.27 26.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 68' ' ' LYS . 1.0 OUTLIER -166.84 153.82 8.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.875 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 19.6 p -158.45 172.07 19.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.9 m -127.25 124.23 38.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.2 t -110.18 123.42 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.9 p -98.65 170.94 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -46.86 -51.35 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.59 -66.37 0.39 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.468 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -61.4 -43.32 99.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.921 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.1 mt -49.27 -44.3 43.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.02 -38.88 18.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.042 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.42 ' C ' HG21 ' A' ' 46' ' ' ILE . 64.1 m-20 -72.64 -25.8 61.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.18 142.3 47.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -106.29 109.1 20.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.3 133.81 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.07 99.61 6.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -93.14 42.96 1.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.4 p -98.86 -48.67 4.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.2 m -129.75 -48.06 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.471 ' HG2' ' CD2' ' A' ' 112' ' ' LEU . 13.6 ttm180 -138.84 121.64 10.68 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.59 0.709 . . . . 0.0 110.841 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 93.54 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -139.89 157.6 45.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.563 HG22 ' CE2' ' A' ' 93' ' ' PHE . 75.1 mt -91.79 126.34 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.1 t -94.59 121.75 45.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.563 ' CE2' HG22 ' A' ' 91' ' ' ILE . 63.6 m-85 -108.86 171.42 7.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.536 ' HG3' ' CD2' ' A' ' 60' ' ' PHE . 12.8 mmt85 -149.41 125.84 10.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 25.6 mt -134.29 138.2 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.71 170.99 17.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.63 141.31 51.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -84.22 143.87 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -110.67 -70.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -126.26 -63.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -92.01 -45.69 8.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -153.96 -150.17 5.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -100.12 168.2 9.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 110.938 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.09 -106.25 2.51 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 126.21 13.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.357 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -104.03 131.42 51.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.401 HG21 ' N ' ' A' ' 108' ' ' GLN . 92.1 m -87.03 134.83 33.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.401 ' N ' HG21 ' A' ' 107' ' ' THR . 64.8 tt0 -110.62 110.84 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 13.9 tt -115.43 136.35 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -105.35 107.47 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.518 ' CE2' HG22 ' A' ' 16' ' ' ILE . 11.1 t90 -100.64 105.39 16.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 88' ' ' ARG . 80.5 mt -58.7 105.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.23 177.68 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -120.29 -117.04 2.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -101.39 116.85 33.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.853 0.359 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 t -102.98 100.58 10.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -101.15 126.22 47.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 t -70.5 -44.83 66.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 82.14 -156.31 35.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 121' ' ' SER . 53.5 Cg_endo -69.82 -31.13 20.87 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.315 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 120' ' ' PRO . 1.7 t -36.52 137.18 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.8 p -76.29 105.85 7.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.52 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -108.41 -56.82 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -45.19 128.82 7.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.48 80.45 0.12 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -58.01 -50.25 74.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.883 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -76.03 135.46 39.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.36 -164.37 31.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 173.33 11.18 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.13 162.08 21.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.458 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.58 141.63 93.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.559 0.695 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 158.29 57.42 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.6 p -133.71 166.46 22.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 m 60.48 52.75 4.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.0 t -95.29 112.78 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -122.41 141.9 51.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 53.4 mt -118.24 134.2 62.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.176 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 m -143.33 135.48 26.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -69.47 126.45 29.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -116.86 168.15 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.8 m -52.48 -38.5 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.31 26.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.65 -104.33 2.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.559 HD13 ' CZ3' ' A' ' 111' ' ' TRP . 94.2 mt -118.94 145.78 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 111.127 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -120.36 97.34 5.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tp -86.21 118.48 25.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.8 p -133.34 135.79 44.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.545 ' CZ2' ' HA ' ' A' ' 69' ' ' THR . 45.3 p90 -144.07 176.12 9.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -122.65 153.03 62.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.588 0.708 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 164.32 34.98 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.94 40.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.4 t -92.34 -13.82 29.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.4 p -56.87 155.0 16.34 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.656 0.741 . . . . 0.0 110.899 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' GLY . 53.7 Cg_endo -69.75 -1.99 9.4 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.698 2.266 . . . . 0.0 112.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.8 m -58.02 82.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -81.59 -147.19 5.75 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.501 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 55.47 25.55 7.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.6 mm -55.55 94.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.438 ' C ' ' CD ' ' A' ' 39' ' ' GLU . 26.0 mt -66.14 -67.58 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.438 ' CD ' ' C ' ' A' ' 38' ' ' LEU . 43.3 mp0 -156.97 163.62 38.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -109.8 168.65 9.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.8 t -148.78 125.44 11.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.43 134.64 48.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.061 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 4.2 m-85 -123.78 154.89 38.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.548 HD13 ' CE1' ' A' ' 93' ' ' PHE . 8.5 tp -128.98 128.22 43.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.554 ' N ' ' CD2' ' A' ' 60' ' ' PHE . . . -58.34 131.85 51.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.1 pt -127.18 172.73 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -58.84 170.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.8 t -163.08 134.65 5.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.91 173.16 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 39.5 53.6 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -105.0 108.52 20.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -90.29 156.05 18.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.11 -57.25 5.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.453 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -42.03 151.29 0.34 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.709 . . . . 0.0 110.911 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 128.65 16.31 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.4 t -142.44 179.89 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -58.86 144.96 42.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 mt -129.59 105.89 8.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.3 m -76.51 147.83 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.554 ' CD2' ' N ' ' A' ' 45' ' ' ALA . 3.1 m-85 -114.71 168.78 9.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 17.4 ptt? -124.66 138.46 54.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -65.14 118.79 9.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.1 pt -110.0 -25.47 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -150.92 135.1 16.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.3 t -128.4 89.46 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -153.51 164.11 30.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.74 18.68 11.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 70' ' ' SER . 23.0 ttpp -87.88 4.8 43.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.545 ' HA ' ' CZ2' ' A' ' 27' ' ' TRP . 41.9 p 39.74 24.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' LYS . 67.9 m -159.99 138.4 10.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.2 p -156.1 163.48 39.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.3 m -110.78 135.07 51.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.7 t -108.31 110.14 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.8 p -78.44 177.14 8.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -62.34 -54.13 44.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.32 -41.1 0.3 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.509 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -83.84 -48.16 10.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.5 mt -46.2 -42.97 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.84 -34.77 20.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -77.21 -27.18 53.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.98 120.74 7.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -86.52 121.11 28.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.2 mt -81.64 138.58 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.64 106.78 17.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' A' ' 89' ' ' PRO . 17.7 m-85 -99.28 41.78 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.2 p -102.16 -50.86 3.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.4 m -125.59 -44.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.467 ' CG ' HD23 ' A' ' 112' ' ' LEU . 20.1 ttm180 -142.1 120.71 7.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.407 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.73 80.99 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.713 2.275 . . . . 0.0 112.367 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.09 168.56 19.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.559 HG22 ' CZ ' ' A' ' 93' ' ' PHE . 13.3 mt -86.84 131.42 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.5 t -95.35 138.61 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.559 ' CZ ' HG22 ' A' ' 91' ' ' ILE . 91.0 m-85 -129.11 176.52 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.414 ' C ' HG13 ' A' ' 95' ' ' ILE . 41.0 mtt-85 -162.74 141.0 8.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.485 HD11 ' CE3' ' A' ' 27' ' ' TRP . 26.7 mt -142.02 143.11 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.7 t -150.12 172.66 14.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.6 164.17 11.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.08 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.508 ' HG3' ' CZ ' ' A' ' 103' ' ' TYR . 1.4 ttpm? -132.27 112.8 12.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 100' ' ' GLU . 65.4 t30 -131.62 176.38 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 99' ' ' ASN . 51.1 mt-10 -33.83 -46.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.66 -56.64 15.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.01 -87.93 0.15 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.508 ' CZ ' ' HG3' ' A' ' 98' ' ' LYS . 10.3 m-85 -150.69 122.86 8.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.917 0.389 . . . . 0.0 110.933 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -93.43 -149.02 24.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.509 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 157.64 59.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -126.16 132.68 51.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.4 m -82.22 136.46 35.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -101.41 155.47 18.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 14.5 tt -157.1 133.87 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -100.07 129.56 46.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.559 ' CZ3' HD13 ' A' ' 23' ' ' ILE . 19.1 t90 -121.41 109.78 15.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.467 HD23 ' CG ' ' A' ' 88' ' ' ARG . 27.0 mt -65.76 130.12 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -61.95 124.22 20.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 118.68 134.44 4.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -172.14 148.2 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.951 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 88.5 p -52.71 172.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -78.79 177.52 8.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.1 t -121.91 148.1 45.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.27 109.77 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.03 20.34 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.3 m -114.5 42.65 2.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.7 t -137.37 129.46 29.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.826 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -141.35 170.65 15.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.894 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 p -88.41 93.41 9.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.17 165.95 39.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -131.58 86.11 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -86.1 42.09 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.38 174.04 44.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.429 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 53.7 Cg_endo -69.8 138.75 38.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.22 159.74 4.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.27 137.43 68.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.529 0.681 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 145.09 56.45 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -137.5 171.9 13.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.9 m 66.44 40.87 3.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.5 t -81.24 114.39 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -102.64 146.34 28.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.481 HG22 ' CE2' ' A' ' 111' ' ' TRP . 69.0 mt -132.75 146.19 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.4 m -153.25 135.3 14.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -64.92 132.54 49.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -108.98 169.26 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -73.47 -39.1 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -100.86 25.98 7.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.15 -139.6 10.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.464 HG21 ' N ' ' A' ' 24' ' ' HIS . 43.6 mt -121.33 140.59 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 111.172 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.464 ' N ' HG21 ' A' ' 23' ' ' ILE . 12.4 t60 -101.06 110.74 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.79 119.82 39.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.9 p -121.16 155.34 34.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.5 p90 -159.63 166.2 31.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -122.66 153.05 62.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 166.03 28.93 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 144.87 55.3 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.689 2.259 . . . . 0.0 112.313 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.4 t -74.04 -41.85 61.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.8 p -45.06 153.11 0.53 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 99.34 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.642 2.228 . . . . 0.0 112.359 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.5 p -108.79 -57.27 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.68 -102.01 2.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -94.03 115.53 27.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.752 0.31 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.4 mm -113.67 108.05 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.8 mt -50.65 170.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -43.29 155.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -90.8 169.07 11.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -141.9 134.61 28.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.41 131.4 53.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -122.01 162.18 21.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.557 HD13 ' CE1' ' A' ' 93' ' ' PHE . 18.2 tp -147.83 134.09 19.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.9 142.39 58.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.454 HG23 ' CG ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -134.16 172.59 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 48' ' ' THR . 5.7 ttt180 37.28 42.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 47' ' ' ARG . 13.2 t 32.63 41.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 48' ' ' THR . . . 32.88 45.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -60.78 108.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.69 179.35 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' ASP . 88.5 mt-30 -42.17 165.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' GLN . 3.2 p-10 -33.96 -60.54 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -60.32 152.9 61.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 149.03 66.38 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.9 t -148.24 158.74 44.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -50.03 175.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.423 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . 0.2 OUTLIER -115.5 127.6 55.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.3 t -84.64 108.98 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 58' ' ' LEU . 8.4 m-85 -89.54 116.82 27.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.454 ' CG ' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -88.27 139.77 30.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -53.06 123.21 11.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.48 HG13 ' N ' ' A' ' 64' ' ' TYR . 42.9 pt -106.28 -35.94 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.48 ' N ' HG13 ' A' ' 63' ' ' ILE . 62.6 t80 -128.57 138.48 52.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.1 p -127.41 117.23 21.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.13 -158.61 26.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 68' ' ' LYS . 2.5 pt? -121.12 -41.24 2.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.894 0.378 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.435 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -38.33 143.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.2 p -80.63 39.72 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -176.13 157.84 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.465 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 25.8 p -158.28 171.92 19.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.9 m -122.92 136.53 54.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.8 t -108.79 136.28 45.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.8 p -93.89 144.5 25.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -44.76 -53.41 7.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.097 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.04 -44.96 0.55 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.503 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -75.11 -45.16 43.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.42 HD11 ' CD1' ' A' ' 23' ' ' ILE . 12.9 mt -43.47 -36.64 2.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.74 -41.31 73.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -75.51 -25.62 57.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.71 129.45 36.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -70.85 137.28 49.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.2 mm -104.77 99.73 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -74.16 98.68 3.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' SER . 28.9 m-85 -82.43 19.54 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.7 p -59.98 75.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.148 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' TYR . 74.1 m 56.42 25.02 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -179.54 104.99 0.18 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 93.56 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.28 . . . . 0.0 112.34 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.442 ' HB3' ' N ' ' A' ' 112' ' ' LEU . . . -142.33 170.86 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.487 HG22 ' CZ ' ' A' ' 93' ' ' PHE . 15.8 mt -100.91 136.76 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.463 ' N ' HG23 ' A' ' 91' ' ' ILE . 46.6 t -91.71 142.34 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.557 ' CE1' HD13 ' A' ' 44' ' ' LEU . 60.2 m-85 -137.17 167.94 20.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.42 ' C ' HG13 ' A' ' 95' ' ' ILE . 16.1 mtm180 -152.28 139.62 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 96' ' ' SER . 47.8 mt -145.06 139.95 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.46 ' N ' HG23 ' A' ' 95' ' ' ILE . 8.4 t -150.07 165.95 31.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.43 165.27 13.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 103' ' ' TYR . 19.8 tttm -126.56 118.55 25.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.429 ' ND2' ' HB3' ' A' ' 8' ' ' PRO . 45.1 m-20 -95.72 17.45 14.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 70.71 28.21 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -134.38 -43.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 103' ' ' TYR . . . 163.73 106.88 0.2 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 98' ' ' LYS . 14.1 m-85 -33.63 126.76 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.913 0.387 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -88.35 -139.43 6.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 145.47 57.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.721 2.281 . . . . 0.0 112.286 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.44 122.66 47.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 108' ' ' GLN . 25.2 m -75.01 144.55 43.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.447 ' N ' HG22 ' A' ' 107' ' ' THR . 16.9 tt0 -114.08 160.48 18.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.6 tt -159.55 148.73 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 110' ' ' ARG . 0.9 OUTLIER -117.78 111.38 19.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.481 ' CE2' HG22 ' A' ' 16' ' ' ILE . 30.5 t90 -102.28 105.41 16.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.442 ' N ' ' HB3' ' A' ' 90' ' ' ALA . 19.9 mt -51.09 166.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -73.53 -52.73 12.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 67.03 -142.27 41.2 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -114.65 177.47 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 t -166.01 159.25 15.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -162.58 154.77 18.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.1 m -124.57 156.18 37.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -146.65 126.23 2.41 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 160.98 47.7 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 25.1 m -164.16 162.65 22.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.1 p -118.56 148.21 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.45 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -142.68 139.39 31.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.874 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t 45.31 42.17 7.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.15 -143.89 16.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 p -149.75 162.96 39.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.379 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 p -145.49 148.55 33.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.75 -170.26 26.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.54 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 129.51 17.72 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.09 155.81 1.66 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.91 147.26 50.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.719 . . . . 0.0 111.071 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 133.04 24.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 m -118.18 162.16 18.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.7 m 70.27 40.91 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.0 t -74.93 109.68 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -104.96 146.42 29.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.457 HG21 ' N ' ' A' ' 17' ' ' SER . 69.6 mt -129.15 147.45 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.457 ' N ' HG21 ' A' ' 16' ' ' ILE . 1.4 t -146.12 118.28 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -74.7 124.18 26.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -111.51 172.02 7.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.6 m -64.27 -43.88 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.53 -29.79 63.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.43 -168.38 40.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.433 HD11 ' CZ3' ' A' ' 111' ' ' TRP . 69.0 mt -81.11 142.38 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.852 0.358 . . . . 0.0 111.158 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -112.04 98.86 7.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 tp -84.44 119.83 25.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -127.07 156.84 41.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 17.0 p90 -168.66 175.08 6.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -111.73 153.84 44.21 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.682 0.753 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.33 21.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 2.244 . . . . 0.0 112.356 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.72 9.4 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.706 2.27 . . . . 0.0 112.329 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.0 t -82.45 39.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.454 ' C ' ' H ' ' A' ' 34' ' ' SER . 58.8 m -107.72 155.16 40.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.662 0.744 . . . . 0.0 110.863 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 11.28 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.316 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 32' ' ' SER . 4.7 t -64.67 95.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.3 -79.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -53.94 121.66 8.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.2 mm -134.64 97.88 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 mt -73.8 169.93 16.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' CB ' ' HB3' ' A' ' 67' ' ' LEU . 2.4 pp20? -48.24 177.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -115.74 169.36 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.2 p -144.15 134.96 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -114.76 130.74 56.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -115.61 153.67 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 81' ' ' ALA . 14.5 tp -135.55 114.05 11.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.37 124.08 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.3 pt -123.0 139.57 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -86.78 -42.31 13.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.9 p -39.85 -44.25 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.24 40.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -114.78 105.22 12.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.4 tpt -127.79 -51.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -132.56 81.15 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -154.4 142.47 20.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -54.95 158.88 4.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.631 0.729 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -38.32 8.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.266 . . . . 0.0 112.351 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.9 m -73.37 -45.01 57.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -58.21 147.59 29.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.463 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 10.2 mt -132.74 106.51 7.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.0 t -81.47 113.0 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.463 ' CE1' ' O ' ' A' ' 58' ' ' LEU . 9.1 m-85 -98.81 153.93 18.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.1 ptt? -128.53 144.55 51.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 62' ' ' ARG . 7.1 tmm_? -65.54 121.74 15.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.43 HG13 ' N ' ' A' ' 64' ' ' TYR . 9.7 pt -112.73 -33.61 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.43 ' N ' HG13 ' A' ' 63' ' ' ILE . 11.1 t80 -114.45 133.28 55.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.9 p -119.59 123.94 45.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.63 -168.62 40.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.429 ' HB3' ' CB ' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -133.95 13.93 3.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.917 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -84.26 167.95 16.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.1 p -89.99 -20.41 23.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.5 p -126.28 129.93 49.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.4 p -130.75 169.76 15.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.7 m -124.33 135.45 53.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.4 t -109.39 139.28 32.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 p -95.14 162.8 13.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.096 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -60.38 -46.34 90.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.86 -52.16 1.5 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.448 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.413 ' NE2' ' HB ' ' A' ' 63' ' ' ILE . 45.8 mt-30 -70.56 -42.5 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -51.15 -37.29 45.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.36 -36.25 68.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.0 20.56 11.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.471 ' HB2' ' CD1' ' A' ' 44' ' ' LEU . . . -97.99 118.62 34.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.045 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -72.87 116.2 13.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.0 mt -94.49 121.22 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.44 ' OD1' ' CG2' ' A' ' 92' ' ' VAL . 0.3 OUTLIER -72.52 98.68 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' SER . 9.8 m-85 -83.02 10.37 8.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 88' ' ' ARG . 60.0 p -52.62 89.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 85' ' ' TYR . 5.9 t 41.74 24.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.455 ' CG ' HD21 ' A' ' 112' ' ' LEU . 20.3 ttm180 -178.08 105.05 0.21 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.822 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 91.22 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.97 153.95 51.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.502 HG22 ' CE2' ' A' ' 93' ' ' PHE . 58.2 mt -96.59 134.2 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.44 ' CG2' ' OD1' ' A' ' 84' ' ' ASP . 93.6 t -96.72 138.15 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.502 ' CE2' HG22 ' A' ' 91' ' ' ILE . 61.1 m-85 -134.35 148.42 50.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -121.52 132.92 54.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 35.3 mt -140.79 142.04 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.0 t -160.15 162.78 34.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.74 153.23 21.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 41.6 tttt -106.08 132.28 52.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -123.41 179.33 4.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -42.81 -41.91 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -80.62 -53.72 6.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.75 -142.46 7.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.521 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 98.3 m-85 -98.12 135.78 39.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.932 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -96.74 -133.74 7.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 142.74 48.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.381 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.19 159.93 16.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 84.0 m -112.07 137.48 50.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -104.26 118.68 37.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 17.1 tt -115.6 146.77 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.405 ' NH1' ' HD2' ' A' ' 88' ' ' ARG . 56.4 mtm180 -119.71 114.13 21.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.47 ' CZ3' ' CD ' ' A' ' 113' ' ' GLN . 18.8 t90 -105.21 96.94 6.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.455 HD21 ' CG ' ' A' ' 88' ' ' ARG . 1.7 mt -51.54 125.69 15.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.47 ' CD ' ' CZ3' ' A' ' 111' ' ' TRP . 4.2 mm100 -124.78 177.4 6.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -146.21 -42.73 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -48.35 126.99 12.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 51.2 p -103.92 179.85 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.6 156.74 31.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.9 t -100.47 118.49 36.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 175.84 97.98 0.11 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 153.08 69.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 24.0 p -50.01 161.07 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.7 m -128.57 159.23 36.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 p -118.62 130.18 55.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -149.6 128.16 12.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.68 175.77 53.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -68.78 93.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.878 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -155.28 134.15 12.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.55 178.02 42.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -18.11 37.07 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.729 2.286 . . . . 0.0 112.349 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.93 171.28 25.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.56 151.37 41.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 152.07 69.37 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.641 2.227 . . . . 0.0 112.333 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 m -139.03 168.38 19.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.821 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.2 m 52.15 43.37 30.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.162 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -69.16 113.71 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -108.5 130.56 55.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.482 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 23.9 mt -121.43 129.45 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 m -126.66 174.03 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -89.01 129.45 35.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.419 ' HB3' ' C ' ' A' ' 22' ' ' GLY . 15.8 t30 -99.41 156.08 17.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.4 t -64.2 -38.09 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -109.78 29.3 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.419 ' C ' ' HB3' ' A' ' 19' ' ' ASN . . . 143.19 -135.88 6.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.432 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.484 HD13 ' CZ3' ' A' ' 111' ' ' TRP . 43.7 mt -113.67 144.51 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.404 ' N ' HG21 ' A' ' 23' ' ' ILE . 17.0 t60 -110.24 102.88 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.9 139.49 30.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.1 m -145.25 149.46 34.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.427 ' CE3' HD12 ' A' ' 95' ' ' ILE . 34.3 p90 -156.27 176.44 12.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -113.57 153.28 45.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.739 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 162.9 40.27 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.315 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 146.59 60.67 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.1 t -97.38 36.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.407 ' C ' ' H ' ' A' ' 34' ' ' SER . 30.6 m -98.73 151.82 37.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.682 0.753 . . . . 0.0 110.838 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 8.12 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.368 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 32' ' ' SER . 65.5 m -49.84 108.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.51 -79.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -90.75 153.32 20.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.9 mm -134.76 110.85 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 67.8 mt -70.62 160.25 32.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.965 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -45.51 150.22 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -94.87 168.13 10.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 m -150.0 132.62 15.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.68 141.43 42.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -119.07 145.0 46.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.523 HD12 ' CE1' ' A' ' 93' ' ' PHE . 30.2 tp -119.65 117.35 28.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.486 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -46.66 134.96 9.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.8 pt -129.6 129.39 66.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.77 19.03 1.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.9 p -86.73 42.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.06 175.47 10.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -131.2 109.67 10.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.2 mmt -134.84 102.66 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -100.12 -59.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.11 81.81 5.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -170.32 158.21 5.99 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.71 48.69 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.246 . . . . 0.0 112.362 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 t -51.04 109.72 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -151.14 168.11 25.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 2.7 mt -146.15 126.23 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.8 t -73.93 107.2 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 58' ' ' LEU . 17.2 m-85 -97.64 129.32 44.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -109.75 140.74 43.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -63.98 119.16 9.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 64' ' ' TYR . 28.5 pt -108.28 -32.37 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.434 ' N ' HG13 ' A' ' 63' ' ' ILE . 1.5 t80 -117.93 132.41 56.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.1 t -125.71 93.58 3.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -166.84 -169.7 30.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.492 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.436 ' HG ' ' N ' ' A' ' 68' ' ' LYS . 2.1 pt? -108.91 -39.28 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.436 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 13.7 tptm -41.26 140.12 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 50.6 p -85.61 37.67 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 86.1 p -167.49 124.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 20.1 p -131.03 166.45 20.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.0 m -120.44 128.88 53.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.0 t -103.15 130.71 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.0 p -88.51 155.36 19.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -53.2 -51.19 62.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.089 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -37.42 -49.59 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -71.03 -43.73 67.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.815 0.341 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 23' ' ' ILE . 18.1 mt -45.71 -43.17 12.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.01 -42.04 60.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -74.26 -26.7 60.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.1 122.0 13.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 82' ' ' HIS . 3.5 t60 -71.47 122.47 20.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.473 HG22 ' CZ ' ' A' ' 85' ' ' TYR . 38.8 mm -86.82 107.84 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.33 99.2 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.501 ' O ' ' N ' ' A' ' 87' ' ' SER . 41.6 m-85 -89.21 17.04 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.9 p -59.59 75.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 85' ' ' TYR . 1.2 t 60.19 24.99 14.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -179.33 105.01 0.19 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 88.53 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.248 . . . . 0.0 112.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.42 ' HB2' ' C ' ' A' ' 111' ' ' TRP . . . -141.6 170.66 15.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.528 HG23 ' CZ ' ' A' ' 93' ' ' PHE . 73.6 mt -103.09 129.44 54.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.5 t -86.9 109.46 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.528 ' CZ ' HG23 ' A' ' 91' ' ' ILE . 52.3 m-85 -105.47 164.33 11.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -144.29 127.92 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.427 HD12 ' CE3' ' A' ' 27' ' ' TRP . 21.1 mt -134.24 132.56 55.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.2 t -142.24 163.2 33.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.86 149.65 25.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -110.01 134.74 51.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 100' ' ' GLU . 12.9 t-20 -126.31 165.4 19.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 99' ' ' ASN . 10.3 tt0 -36.35 -39.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -59.7 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.5 -147.04 10.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -93.04 148.01 22.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.951 0.405 . . . . 0.0 110.923 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 105' ' ' PRO . . . -115.49 -129.77 4.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 104' ' ' GLY . 53.6 Cg_endo -69.7 143.91 52.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 0.0 112.372 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -116.75 144.43 44.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.4 m -110.26 143.02 41.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.41 ' NE2' ' HG3' ' A' ' 110' ' ' ARG . 12.0 tm0? -110.12 150.84 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.9 tt -151.4 132.59 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.41 ' HG3' ' NE2' ' A' ' 108' ' ' GLN . 17.3 mtm180 -101.66 98.11 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.484 ' CZ3' HD13 ' A' ' 23' ' ' ILE . 33.0 t90 -81.79 99.33 8.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.36 129.97 44.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -105.84 42.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -61.54 -46.28 94.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -87.66 104.13 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.347 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.1 t -134.83 97.9 3.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -96.86 88.73 4.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.6 t -120.28 42.15 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.82 157.75 32.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 108.98 2.19 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.2 t -166.14 147.1 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.8 m -52.01 168.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -125.41 95.13 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m -113.17 99.27 7.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.93 149.01 6.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t 66.2 43.23 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 m -122.6 -48.81 2.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.71 158.81 43.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.436 ' HD3' ' ND2' ' A' ' 99' ' ' ASN . 53.9 Cg_endo -69.72 147.2 62.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.332 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.49 174.7 7.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.423 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.17 148.11 33.91 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.565 0.698 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 112.19 3.0 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.6 m -95.3 153.49 17.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 m 75.02 41.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -71.26 111.44 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -101.74 144.42 30.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.5 mt -128.88 122.59 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.5 m -122.85 135.22 54.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -73.11 122.32 21.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -106.96 159.42 16.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.76 -41.77 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -72.15 -28.8 63.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.92 -114.54 0.54 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.523 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.1 mt -119.12 137.62 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 24' ' ' HIS . 2.4 t-160 -105.59 99.53 9.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tp -87.2 125.34 34.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.0 p -131.9 145.71 51.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 17.6 p90 -155.6 167.24 31.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -115.49 148.71 41.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.661 0.743 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 164.73 33.53 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.268 . . . . 0.0 112.307 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.95 64.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.5 t -97.18 33.94 1.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 86.8 p -131.98 138.66 32.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 79.53 0.94 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.712 2.274 . . . . 0.0 112.321 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.442 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 17.7 m -89.83 46.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 46.56 -161.43 0.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -50.9 118.81 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.6 mm -96.01 92.45 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.3 mt -56.83 179.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -52.69 -174.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.408 ' O ' ' O ' ' A' ' 66' ' ' GLY . 13.0 m-85 -124.0 169.6 11.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 t -150.78 119.8 6.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -98.23 145.67 26.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.445 ' HB3' ' CB ' ' A' ' 60' ' ' PHE . 12.0 m-85 -128.01 156.41 42.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.43 HD23 ' CB ' ' A' ' 81' ' ' ALA . 28.6 tp -137.57 142.02 41.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.56 ' HB2' ' CD2' ' A' ' 82' ' ' HIS . . . -86.23 117.67 25.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.087 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.429 HG13 ' N ' ' A' ' 47' ' ' ARG . 30.4 pt -106.87 -36.79 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.429 ' N ' HG13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -175.08 151.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.8 p -89.66 109.94 20.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.44 -49.03 14.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -52.44 -42.14 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 65.5 mtm 52.79 40.47 30.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -110.59 167.57 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -78.84 45.16 0.59 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -64.12 155.09 80.33 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.609 0.718 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 86.63 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m 43.06 43.22 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -96.13 142.6 28.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 mt -133.87 146.81 50.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.3 p -98.48 109.01 23.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.564 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 10.3 m-85 -103.65 124.52 48.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -94.07 135.4 35.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.423 ' C ' ' HD2' ' A' ' 62' ' ' ARG . 5.5 tmm_? -55.46 122.74 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.458 HG13 ' N ' ' A' ' 64' ' ' TYR . 42.5 pt -113.68 -37.86 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.492 ' CD1' ' HB2' ' A' ' 71' ' ' CYS . 32.4 t80 -115.7 133.15 56.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 9.3 t -114.9 90.32 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.468 ' HA3' ' CZ ' ' A' ' 64' ' ' TYR . . . -155.03 179.6 30.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.513 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.423 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 1.7 pt? -124.23 -26.45 3.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.926 0.393 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.74 150.97 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.3 p -79.3 41.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.0 p -175.89 127.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.492 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 16.5 p -134.82 162.42 32.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.9 m -125.63 136.68 53.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.439 HG11 ' N ' ' A' ' 74' ' ' THR . 86.0 t -111.61 144.62 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.439 ' N ' HG11 ' A' ' 73' ' ' VAL . 47.3 p -94.13 162.46 13.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.52 -49.94 75.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.22 -54.02 2.1 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -63.52 -49.58 72.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -44.13 -45.96 8.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.35 -43.6 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -72.93 -22.5 60.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.43 ' CB ' HD23 ' A' ' 44' ' ' LEU . . . -59.23 132.07 52.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 45' ' ' ALA . 1.0 OUTLIER -85.67 123.79 31.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 80.4 mt -97.74 120.64 47.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -83.1 101.95 11.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' A' ' 87' ' ' SER . 19.1 m-85 -82.97 18.95 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.6 m -56.82 79.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 85' ' ' TYR . 2.6 t 50.1 25.05 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.46 ' HG2' ' CD2' ' A' ' 112' ' ' LEU . 6.5 ttm180 -178.7 105.0 0.2 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.729 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.7 Cg_endo -69.73 96.97 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.724 2.283 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.472 ' HB1' ' CD2' ' A' ' 112' ' ' LEU . . . -142.33 153.21 43.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 70.9 mt -99.82 133.88 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 93' ' ' PHE . 45.0 t -93.96 140.52 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.443 ' N ' HG12 ' A' ' 92' ' ' VAL . 26.1 m-85 -132.24 167.8 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.564 ' HG3' ' CD1' ' A' ' 60' ' ' PHE . 9.4 mmt180 -142.67 135.98 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.426 HG13 ' C ' ' A' ' 94' ' ' ARG . 46.2 mt -145.3 140.52 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.4 p -151.71 176.69 11.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.401 ' C ' ' CD2' ' A' ' 103' ' ' TYR . . . -134.34 148.95 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.453 ' CD ' ' HA2' ' A' ' 102' ' ' GLY . 14.4 ttpp -113.32 131.66 55.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.442 ' ND2' ' HB3' ' A' ' 34' ' ' SER . 28.6 m-20 -97.5 -68.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -134.83 -58.62 0.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -73.12 -54.87 7.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.453 ' HA2' ' CD ' ' A' ' 98' ' ' LYS . . . -176.66 -146.45 6.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.401 ' CD2' ' C ' ' A' ' 97' ' ' ALA . 47.4 m-85 -103.04 155.77 18.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.14 -106.54 2.52 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.16 17.13 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -104.79 121.54 43.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.5 151.31 38.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -129.54 136.13 49.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 18.3 tt -137.58 136.76 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -104.56 103.82 13.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -88.12 95.71 10.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.472 ' CD2' ' HB1' ' A' ' 90' ' ' ALA . 31.9 mt -62.32 133.86 55.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -68.01 104.28 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.62 -102.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -109.04 123.7 49.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.36 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.3 m -134.35 123.77 24.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -143.81 171.65 13.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.0 p -157.26 165.0 37.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -39.81 133.42 2.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.473 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 2.56 3.4 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.4 p -49.37 154.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.9 p -40.32 -44.91 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -59.81 151.48 25.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.871 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 m -75.41 161.98 28.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.0 167.64 28.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p -59.79 157.61 11.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -54.11 -52.76 60.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.16 -157.77 12.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 125.85 12.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.337 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.25 143.07 22.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.46 153.97 81.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.537 0.684 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 143.54 51.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.237 . . . . 0.0 112.336 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.5 m -132.66 154.93 49.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m 72.0 45.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.91 129.75 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -120.0 153.99 35.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.8 mt -135.07 121.02 31.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.3 m -122.82 129.58 51.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -67.46 135.2 52.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -112.0 151.27 29.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.455 HG22 ' N ' ' A' ' 21' ' ' ASP . 28.7 m -54.86 -32.29 26.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.455 ' N ' HG22 ' A' ' 20' ' ' VAL . 2.8 t70 -83.77 -28.04 28.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.69 -106.14 0.22 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.459 HD11 ' CD1' ' A' ' 78' ' ' LEU . 63.2 mt -129.86 140.14 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 111.099 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -114.2 97.16 6.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tp -81.82 132.36 35.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -139.63 159.21 42.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 41.0 p90 -165.34 167.08 18.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -105.37 155.53 37.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.652 0.739 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 159.83 51.97 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 31' ' ' THR . 53.6 Cg_endo -69.74 94.39 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.646 2.23 . . . . 0.0 112.376 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' PRO . 9.3 t -34.89 -37.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 31' ' ' THR . 68.9 m -36.12 154.67 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.671 0.748 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 6.39 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.347 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 32' ' ' SER . 23.2 p -81.21 108.36 14.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.55 51.34 0.84 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -130.61 29.49 4.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.757 0.313 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.498 HG22 ' CE1' ' A' ' 40' ' ' TYR . 4.9 mp -82.96 85.0 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' ILE . 41.8 mt -37.17 -45.83 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -161.77 159.8 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.498 ' CE1' HG22 ' A' ' 37' ' ' ILE . 5.8 m-85 -102.84 169.04 8.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.7 p -147.31 127.8 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.09 126.08 52.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -111.63 138.13 48.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.952 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.472 HD13 ' CE1' ' A' ' 93' ' ' PHE . 18.9 tp -116.03 106.77 14.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.549 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -44.84 125.96 5.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.431 ' CD1' ' N ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -131.23 172.21 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.3 mmm-85 -41.59 139.72 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.8 t -113.91 151.66 31.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.16 -49.06 70.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -72.0 145.24 48.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.7 mtm -124.99 109.22 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -135.39 122.47 21.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -49.38 -49.62 43.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -70.52 153.2 95.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 116.35 4.52 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.676 2.25 . . . . 0.0 112.325 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 57' ' ' GLN . 43.3 p -134.26 -174.92 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' SER . 5.1 pt20 -36.37 148.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.9 mt -130.23 145.16 51.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.0 p -105.27 131.42 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 94' ' ' ARG . 3.5 m-85 -120.75 130.8 54.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.415 ' HG2' ' CD1' ' A' ' 46' ' ' ILE . 7.4 ptt? -107.37 158.21 17.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 62' ' ' ARG . 4.0 tmm_? -76.32 121.93 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 64' ' ' TYR . 40.1 pt -109.31 -33.79 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.461 ' N ' HG13 ' A' ' 63' ' ' ILE . 8.7 t80 -133.83 138.66 45.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.1 t -128.77 96.35 4.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.01 138.83 5.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 68' ' ' LYS . 1.1 pt? -54.98 -37.9 67.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 110.933 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.412 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 8.5 ttmm -41.0 142.88 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 79.4 p -93.89 37.69 1.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.6 p -165.24 124.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.6 p -134.08 166.56 22.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 73' ' ' VAL . 86.8 m -121.86 141.0 51.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.436 ' N ' HG23 ' A' ' 72' ' ' THR . 90.8 t -110.69 138.93 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.414 ' N ' HG13 ' A' ' 73' ' ' VAL . 31.2 p -95.59 172.14 8.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -67.8 -58.9 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.51 -42.61 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -78.98 -42.47 26.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.459 ' CD1' HD11 ' A' ' 23' ' ' ILE . 16.1 mt -50.65 -48.26 58.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.68 43.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -71.2 -23.38 62.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.65 129.39 40.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -77.4 92.75 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 76.6 mt -74.16 119.5 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.91 94.64 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 87' ' ' SER . 11.1 m-85 -76.6 7.07 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.0 m -47.86 87.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 85' ' ' TYR . 23.3 m 43.37 25.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 87' ' ' SER . 6.8 mtt180 -178.03 106.21 0.21 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.596 0.713 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 97.8 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.437 ' CB ' ' HG2' ' A' ' 110' ' ' ARG . . . -142.36 157.6 44.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 13.4 mt -105.2 133.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.438 HG12 ' NE2' ' A' ' 108' ' ' GLN . 74.1 t -97.43 122.26 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.472 ' CE1' HD13 ' A' ' 44' ' ' LEU . 51.1 m-85 -105.36 164.81 11.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.568 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 3.0 mmm180 -148.66 115.76 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.4 mt -128.54 146.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.1 t -148.65 170.75 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -110.0 139.08 45.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 38.1 tttt -103.8 137.41 41.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 100' ' ' GLU . 22.1 p-10 -132.02 173.05 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 99' ' ' ASN . 31.0 mt-10 -36.82 -43.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -64.55 -64.95 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 172.41 -93.05 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.43 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 39.8 m-85 -144.7 137.67 26.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.921 0.391 . . . . 0.0 110.946 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -111.84 -128.17 5.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.96 46.66 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.336 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.98 162.94 15.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 96.8 m -121.76 137.77 54.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.438 ' NE2' HG12 ' A' ' 92' ' ' VAL . 2.1 tt0 -116.89 148.28 41.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.4 tt -151.8 133.25 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.437 ' HG2' ' CB ' ' A' ' 90' ' ' ALA . 14.1 ttp180 -93.25 141.46 28.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -123.06 105.57 10.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.9 mt -76.77 105.58 7.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -82.09 171.45 14.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.69 -68.26 1.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -160.4 151.39 18.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 51.1 m -49.03 156.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -106.99 147.0 30.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.3 t -152.29 132.67 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 170.68 142.61 3.67 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 149.28 66.84 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.714 2.276 . . . . 0.0 112.334 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.7 t -121.07 153.51 37.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 123' ' ' GLY . 25.4 m -93.42 137.97 32.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 122' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.815 0.256 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.02 154.79 1.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.7 149.57 96.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 146.25 59.36 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.26 . . . . 0.0 112.346 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.6 m -120.28 168.99 10.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 59.63 49.82 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.789 HG22 ' HB2' ' A' ' 27' ' ' TRP . 95.4 t -96.87 111.89 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -121.71 159.12 27.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.678 HG12 HD12 ' A' ' 25' ' ' LEU . 58.9 mt -128.13 117.78 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.8 m -111.88 148.97 32.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -72.16 131.99 43.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -105.26 169.5 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 20' ' ' VAL . 46.9 t -82.63 -12.66 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -125.17 10.17 8.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.89 -123.73 1.49 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.55 HD12 HD21 ' A' ' 78' ' ' LEU . 65.6 mt -123.8 139.42 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 111.166 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -107.23 99.62 9.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.678 HD12 HG12 ' A' ' 16' ' ' ILE . 2.2 tp -86.23 123.43 31.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.5 p -132.07 147.62 52.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.789 ' HB2' HG22 ' A' ' 14' ' ' VAL . 48.3 p90 -155.45 -178.78 7.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -128.32 153.66 78.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 163.81 36.86 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.698 2.266 . . . . 0.0 112.365 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 148.54 65.4 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.351 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.18 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.2 mm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.861 0.363 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.6 mt -78.66 171.06 15.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -45.74 156.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -96.75 166.52 11.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.6 t -148.56 136.15 20.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -116.44 130.1 56.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 3.2 m-85 -112.99 158.05 20.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.635 HD13 ' CE1' ' A' ' 93' ' ' PHE . 14.6 tp -138.27 127.73 24.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.61 137.08 44.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.541 HD13 ' HG2' ' A' ' 61' ' ' MET . 7.6 pt -135.53 170.93 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.457 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.844 0.354 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.1 t -119.5 104.45 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.53 ' CD1' ' NH2' ' A' ' 94' ' ' ARG . 16.3 m-85 -92.21 128.46 38.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.541 ' HG2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -116.91 133.97 55.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -50.59 128.81 21.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.0 pt -117.43 -30.61 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -128.06 126.62 41.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.6 t -119.38 106.68 12.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.0 -167.26 35.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.446 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.871 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.8 pt? -111.66 -27.39 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.37 . . . . 0.0 110.936 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.74 145.49 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.2 p -93.04 38.55 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.5 p -171.73 126.95 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 11.4 p -129.83 167.74 17.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.2 m -124.93 135.66 53.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.0 t -111.23 118.5 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.7 p -77.63 155.54 31.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 78' ' ' LEU . . . -49.53 -61.02 2.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.56 -37.73 0.57 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -74.2 -41.54 61.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.359 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.55 HD21 HD12 ' A' ' 23' ' ' ILE . 9.5 mt -57.4 -34.11 68.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.77 -13.26 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.082 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.34 -22.16 16.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.501 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -62.69 133.8 55.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -96.08 105.16 17.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.6 mt -81.79 135.67 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -82.82 109.95 17.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -97.66 34.09 1.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.9 m -84.18 -60.04 2.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -113.78 -49.7 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.8 mtt85 -144.12 132.5 10.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.631 0.729 . . . . 0.0 110.822 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 95.77 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.314 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.88 154.05 49.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.3 mt -88.59 129.52 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.9 t -96.55 116.87 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.635 ' CE1' HD13 ' A' ' 44' ' ' LEU . 40.6 m-85 -110.93 147.21 35.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.825 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.821 ' HG2' ' HB1' ' A' ' 106' ' ' ALA . 5.5 ttm180 -124.3 136.16 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.556 HD11 HD21 ' A' ' 25' ' ' LEU . 28.2 mt -142.58 147.02 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.183 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.1 t -156.52 177.67 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -126.89 134.03 50.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.531 ' HB2' ' CE2' ' A' ' 103' ' ' TYR . 27.8 tttt -83.58 135.82 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.48 -58.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -132.89 -65.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -123.86 -10.35 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -140.11 -178.31 16.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.531 ' CE2' ' HB2' ' A' ' 98' ' ' LYS . 12.6 m-85 -113.23 165.06 12.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 0.0 110.891 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -86.3 -152.7 21.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.445 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 124.82 11.43 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.821 ' HB1' ' HG2' ' A' ' 94' ' ' ARG . . . -81.72 149.05 28.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.9 m -104.51 133.12 49.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -98.15 113.42 25.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.416 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 15.6 tt -112.39 149.82 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -120.26 117.2 27.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 15.0 t90 -100.62 111.92 24.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 113' ' ' GLN . 16.8 mt -83.57 115.9 22.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 112' ' ' LEU . 25.1 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.845 0.269 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.92 154.49 25.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.552 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.16 151.15 39.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.56 0.695 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HG3' HG22 ' A' ' 95' ' ' ILE . 53.4 Cg_endo -69.79 159.84 51.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.287 . . . . 0.0 112.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -138.61 168.52 19.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m 55.17 47.77 20.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.3 t -76.26 111.04 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -106.71 152.17 24.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.568 HG12 HD12 ' A' ' 25' ' ' LEU . 56.3 mt -135.01 122.68 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -117.6 147.89 42.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -70.9 131.88 44.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -104.73 146.62 28.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.6 m -61.29 -20.76 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -114.54 2.28 14.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.26 -121.0 0.99 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.567 HD12 HD21 ' A' ' 78' ' ' LEU . 15.0 mt -130.86 138.05 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -108.64 99.75 9.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.568 HD12 HG12 ' A' ' 16' ' ' ILE . 1.8 tp -80.09 136.8 36.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -138.45 162.12 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 32.8 p90 -167.92 -176.7 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -127.05 155.62 75.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 152.07 69.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.314 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 107.34 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.629 ' O ' HG23 ' A' ' 31' ' ' THR . 9.1 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.9 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.846 0.355 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.6 mt -56.27 -68.17 0.23 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -148.05 170.71 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -108.63 162.79 13.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -150.13 120.4 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.99 145.02 30.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 1.5 m-85 -130.84 157.88 41.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 81' ' ' ALA . 33.3 tp -127.02 118.88 25.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.65 125.15 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.448 HG23 ' O ' ' A' ' 44' ' ' LEU . 11.1 pt -131.5 161.22 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.1 t -86.93 137.82 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.536 ' CE2' ' HG3' ' A' ' 94' ' ' ARG . 10.6 m-85 -114.28 153.06 30.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.402 ' O ' HG23 ' A' ' 63' ' ' ILE . 15.6 ptt? -126.51 138.29 53.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -60.06 119.59 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 61' ' ' MET . 36.5 pt -115.88 -14.8 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -149.84 132.28 15.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 38.1 t -123.74 96.97 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.26 -162.77 12.35 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.588 ' N ' HD23 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -124.02 -19.01 5.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.917 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 70' ' ' SER . 7.2 tmtm? -53.72 147.06 12.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.452 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 66.6 p -83.86 27.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.473 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 3.8 p -168.0 131.85 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 18.7 p -129.81 168.01 17.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.7 m -118.03 138.05 52.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -115.2 132.95 62.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.6 p -90.49 161.51 15.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.487 ' HA ' HD12 ' A' ' 78' ' ' LEU . . . -63.46 -46.97 83.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -43.1 -39.29 3.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -79.9 -38.09 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.923 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.567 HD21 HD12 ' A' ' 23' ' ' ILE . 63.2 mt -54.48 -35.86 63.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.6 -29.94 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.087 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -85.44 -15.62 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.694 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -59.33 128.47 37.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -75.04 125.14 28.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 16.2 mm -98.97 126.63 52.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 88' ' ' ARG . 16.6 t70 -98.96 94.94 6.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 86' ' ' THR . 20.0 m-85 -81.59 -30.01 33.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 85' ' ' TYR . 95.5 m -36.82 -64.3 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 m -92.06 -67.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.698 ' HD3' HD21 ' A' ' 112' ' ' LEU . 7.3 ttm105 -148.64 133.45 9.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 92.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.41 160.67 39.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.593 HD12 ' HE3' ' A' ' 111' ' ' TRP . 78.3 mt -86.84 127.41 40.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.5 t -87.44 103.84 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.45 ' HB2' ' CG2' ' A' ' 109' ' ' ILE . 6.6 m-85 -100.55 133.84 44.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.536 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -118.24 134.15 55.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.431 HG22 ' HG3' ' A' ' 11' ' ' PRO . 19.2 mt -138.44 138.14 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.3 t -151.96 172.27 16.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.45 150.83 34.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.06 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 103' ' ' TYR . 3.5 ttpm? -112.22 121.06 43.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 100' ' ' GLU . 13.9 p-10 -120.94 173.76 7.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 99' ' ' ASN . 17.0 mt-10 -35.06 -39.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -77.92 -59.61 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 158.92 -128.37 2.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.44 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 98' ' ' LYS . 71.6 m-85 -114.74 127.16 55.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.971 0.415 . . . . 0.0 110.906 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.36 -95.93 1.94 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 136.33 32.86 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.324 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.4 ' CB ' ' HE ' ' A' ' 94' ' ' ARG . . . -127.01 165.84 18.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.0 m -127.39 123.49 36.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -104.68 116.33 31.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.45 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 10.7 tt -116.89 158.37 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -125.12 120.39 31.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.593 ' HE3' HD12 ' A' ' 91' ' ' ILE . 14.2 t90 -101.74 126.63 48.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.698 HD21 ' HD3' ' A' ' 88' ' ' ARG . 33.4 mt -81.72 97.04 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 179.919 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.23 0.123 0 CA-C-O 120.855 0.273 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.77 170.86 31.15 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.82 154.36 47.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.576 0.703 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 141.59 45.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.2 m -117.87 162.02 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 13' ' ' THR . 11.4 m 55.51 47.65 20.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -81.19 114.9 22.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.0 mtm-85 -112.05 146.44 37.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.442 HD12 ' HB2' ' A' ' 111' ' ' TRP . 22.1 mt -122.9 109.23 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 t -108.75 123.03 48.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -67.38 136.32 54.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -106.44 171.56 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.4 t -74.4 -37.42 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -93.4 -20.95 19.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.33 -128.57 1.08 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.506 HD12 HD21 ' A' ' 78' ' ' LEU . 60.7 mt -127.96 153.33 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 111.104 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.427 ' N ' HG22 ' A' ' 23' ' ' ILE . 16.3 t-80 -118.12 97.97 6.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.831 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tp -87.39 117.01 25.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.1 p -123.38 155.19 37.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.2 p90 -159.89 177.07 11.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -124.16 154.19 68.41 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.63 0.728 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 169.99 17.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 116.7 4.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.478 HG21 ' CE1' ' A' ' 40' ' ' TYR . 50.1 mm . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.819 0.342 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 9.9 mt -67.64 -59.05 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 38' ' ' LEU . 22.9 mt-10 -162.78 171.37 16.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.478 ' CE1' HG21 ' A' ' 37' ' ' ILE . 38.0 m-85 -115.36 168.3 10.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -152.72 129.0 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.616 ' HB3' ' HB3' ' A' ' 64' ' ' TYR . . . -96.03 158.7 15.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -144.92 157.58 44.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' A' ' 81' ' ' ALA . 3.9 tp -147.62 121.41 9.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.699 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -57.05 128.82 38.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.7 pt -122.26 149.51 25.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' N ' ' HB2' ' A' ' 82' ' ' HIS . 15.7 ttt85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.853 0.358 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.4 p -106.64 135.43 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.699 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 16.7 m-85 -121.57 143.1 49.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.2 ptt? -130.06 143.21 50.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -67.58 117.59 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.466 HD12 HG22 ' A' ' 73' ' ' VAL . 45.7 pt -103.57 -24.73 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.616 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 34.7 t80 -130.03 132.86 46.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.3 p -125.65 111.92 15.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.82 171.53 39.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.678 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.3 pt? -88.02 -24.39 23.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.02 141.05 29.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.9 p -87.74 40.07 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.184 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 m -167.1 145.97 5.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 27.1 p -148.77 167.33 25.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.1 m -121.14 138.02 54.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.466 HG22 HD12 ' A' ' 63' ' ' ILE . 56.0 t -120.91 111.74 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.3 p -76.99 168.86 19.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.55 76.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.082 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -42.78 -49.78 6.02 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -69.28 -47.25 65.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.506 HD21 HD12 ' A' ' 23' ' ' ILE . 16.8 mt -47.6 -47.97 28.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.28 -42.9 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.106 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -72.16 -22.44 61.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.804 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -59.55 134.57 57.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.442 ' HB2' ' N ' ' A' ' 47' ' ' ARG . 12.3 t-80 -86.44 133.27 33.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.446 HG21 ' CZ ' ' A' ' 85' ' ' TYR . 46.7 mm -106.73 120.67 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.442 ' CG ' HG22 ' A' ' 86' ' ' THR . 20.5 t0 -74.15 104.87 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.446 ' CZ ' HG21 ' A' ' 83' ' ' ILE . 61.1 m-85 -104.68 42.57 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.442 HG22 ' CG ' ' A' ' 84' ' ' ASP . 10.5 t -113.28 -33.71 5.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.4 m -125.2 -41.75 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -165.7 130.95 1.9 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 90.51 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.71 167.13 22.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.548 HD12 ' HE3' ' A' ' 111' ' ' TRP . 62.1 mt -92.16 124.77 44.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.5 t -94.9 110.06 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.418 ' CE2' HG21 ' A' ' 91' ' ' ILE . 12.9 m-85 -103.38 175.13 5.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -160.24 119.88 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.5 mt -125.21 147.37 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -163.22 161.71 25.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.24 158.33 17.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 14.8 ttpt -119.2 123.93 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -125.28 -177.25 3.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 -40.31 -45.96 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -66.73 -62.77 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.54 -137.37 4.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 41.2 m-85 -101.99 120.12 39.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.949 0.404 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.66 -155.76 5.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.432 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 146.09 59.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -110.69 132.94 53.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.6 m -83.58 127.12 33.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -98.69 114.04 26.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.411 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 13.3 tt -111.72 155.98 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 51.3 mtt85 -124.84 101.92 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.548 ' HE3' HD12 ' A' ' 91' ' ' ILE . 20.1 t90 -88.59 111.61 22.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 mt -76.06 130.19 37.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.23 0.108 0 CA-C-O 120.846 0.269 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.34 162.07 13.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.78 144.1 29.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 133.38 25.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -122.94 158.13 31.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m 69.16 47.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.86 121.36 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -114.62 144.75 42.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.4 mt -130.27 125.93 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.7 m -116.22 149.93 38.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -91.57 122.25 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -116.59 154.55 30.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -53.5 -40.98 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -71.0 -20.93 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.72 -124.39 1.48 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.501 HD12 HD21 ' A' ' 78' ' ' LEU . 14.8 mt -118.21 143.62 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 111.114 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -115.02 107.69 15.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.535 HD21 HD11 ' A' ' 95' ' ' ILE . 2.8 tp -84.3 124.16 30.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -128.8 163.25 25.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.417 ' CE2' ' HA ' ' A' ' 69' ' ' THR . 31.7 p90 -171.67 178.17 3.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -123.33 155.18 65.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.654 0.74 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.41 67.05 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 138.3 37.4 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.813 HG21 ' CZ ' ' A' ' 40' ' ' TYR . 29.8 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.855 0.36 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.1 mt -57.6 -57.65 11.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -163.66 164.5 23.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.813 ' CZ ' HG21 ' A' ' 37' ' ' ILE . 5.0 m-85 -111.44 168.91 9.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.8 p -164.97 148.1 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -106.97 165.26 11.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -144.35 147.33 33.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.846 HD21 ' HB2' ' A' ' 81' ' ' ALA . 4.0 tp -136.67 118.97 15.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.488 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -57.39 125.97 25.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.058 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.9 pt -114.01 -178.07 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.431 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 10.6 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.835 0.35 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.0 p -79.15 132.69 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 15.0 m-85 -104.36 160.51 14.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.521 ' CE ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -143.87 132.92 22.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 62' ' ' ARG . 17.6 ttp-105 -51.95 136.14 29.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.521 HG22 ' CE ' ' A' ' 61' ' ' MET . 13.8 pt -123.96 -14.63 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -143.03 144.59 32.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.8 p -125.49 127.02 45.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.63 172.15 24.46 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.527 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.39 14.19 30.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -82.59 150.86 26.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.417 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 80.8 p -93.81 27.0 2.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.3 p -162.19 125.7 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 12.8 p -129.86 167.79 17.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.4 m -116.43 145.13 43.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.2 t -126.42 113.0 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.7 p -81.97 155.06 25.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.86 -53.21 34.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.61 -34.07 0.24 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -81.58 -50.66 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.501 HD21 HD12 ' A' ' 23' ' ' ILE . 13.9 mt -43.48 -30.73 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.57 -42.83 71.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 81' ' ' ALA . 27.2 p30 -73.54 -23.69 60.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.846 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -61.09 137.13 58.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -86.94 131.5 34.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.594 HG21 ' CZ ' ' A' ' 85' ' ' TYR . 47.2 mm -104.43 123.33 58.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.827 ' OD1' HG23 ' A' ' 86' ' ' THR . 43.5 t0 -86.21 122.15 29.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.594 ' CZ ' HG21 ' A' ' 83' ' ' ILE . 45.2 m-85 -118.58 28.67 8.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.827 HG23 ' OD1' ' A' ' 84' ' ' ASP . 29.5 p -80.2 -51.01 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 t -117.73 -56.1 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -140.4 133.96 15.11 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 92.6 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -139.39 168.13 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 68.4 mt -101.92 137.56 29.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.7 t -103.6 113.63 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -103.57 176.76 5.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.549 ' HG2' ' HB1' ' A' ' 106' ' ' ALA . 17.3 ttt85 -159.87 126.3 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.535 HD11 HD21 ' A' ' 25' ' ' LEU . 16.1 mt -130.71 148.93 33.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -164.32 154.05 14.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.04 132.95 52.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.048 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.444 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 28.9 tttm -94.34 119.4 33.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -109.86 -175.96 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.17 -30.34 16.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.9 mmtm -80.8 -56.62 4.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.44 -137.66 4.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 36.7 m-85 -104.55 120.87 42.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.39 . . . . 0.0 110.949 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -82.81 -149.44 8.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 128.6 16.23 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.549 ' HB1' ' HG2' ' A' ' 94' ' ' ARG . . . -96.82 130.02 44.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 99.6 m -86.57 135.2 33.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -103.52 139.13 39.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 19.6 tt -139.29 129.47 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -99.09 104.08 16.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -87.41 113.74 23.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.0 mt -73.51 125.42 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.914 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.089 0 CA-C-O 120.834 0.264 . . . . 0.0 112.384 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.11 159.78 35.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 105' ' ' PRO . . . -113.73 151.14 44.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.603 0.716 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 149.87 67.6 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 m -136.35 168.57 19.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 13' ' ' THR . 11.6 m 53.16 50.35 17.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.457 HG22 ' CB ' ' A' ' 27' ' ' TRP . 77.2 t -80.01 133.22 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -123.29 144.75 49.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.7 mt -129.05 121.06 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -124.35 132.71 53.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -67.8 132.72 47.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -108.96 168.74 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.68 -38.24 44.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -100.52 18.07 20.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.94 -147.17 18.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.628 HD12 HD21 ' A' ' 78' ' ' LEU . 63.5 mt -113.21 139.05 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 111.092 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -103.44 97.8 7.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.504 HD23 ' HZ3' ' A' ' 27' ' ' TRP . 2.6 tp -87.82 117.29 26.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.4 p -124.04 155.48 38.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.504 ' HZ3' HD23 ' A' ' 25' ' ' LEU . 34.5 p90 -160.9 163.39 31.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -99.86 151.25 37.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.635 0.731 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 152.44 68.96 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.653 2.235 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 115.39 4.08 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.71 2.274 . . . . 0.0 112.346 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.786 HG21 ' CE1' ' A' ' 40' ' ' TYR . 13.0 mm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.843 0.354 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.7 mt -64.65 -65.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -150.3 175.31 11.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.786 ' CE1' HG21 ' A' ' 37' ' ' ILE . 31.2 m-85 -124.73 165.96 17.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.9 m -163.91 157.8 19.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -133.03 143.15 49.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -119.94 137.44 54.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.942 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.719 ' CB ' HG21 ' A' ' 63' ' ' ILE . 51.9 tp -101.92 130.7 48.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -67.37 99.44 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.497 HG21 ' CE ' ' A' ' 61' ' ' MET . 12.7 pt -107.92 174.4 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.1 p -97.7 147.73 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.539 ' CD2' ' HG3' ' A' ' 94' ' ' ARG . 13.7 m-85 -122.81 159.46 28.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.497 ' CE ' HG21 ' A' ' 46' ' ' ILE . 7.1 ptt? -150.28 143.51 24.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -58.81 131.35 50.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.719 HG21 ' CB ' ' A' ' 44' ' ' LEU . 11.0 pt -123.76 -2.2 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -156.52 133.76 10.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.8 m -125.74 106.28 9.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.46 -165.67 26.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.516 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.62 10.2 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.857 0.361 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -78.62 171.81 14.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.1 p -102.34 0.64 34.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.7 m -153.47 127.93 9.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 15.5 p -127.59 166.52 17.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.1 m -114.16 134.69 54.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.6 t -105.2 140.5 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.6 p -96.18 153.28 17.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.585 ' HA ' HD12 ' A' ' 78' ' ' LEU . . . -57.97 -46.71 84.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -41.85 -42.54 3.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -78.08 -41.9 33.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.628 HD21 HD12 ' A' ' 23' ' ' ILE . 21.1 mt -49.92 -40.49 43.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.22 -36.89 6.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -78.28 -25.13 46.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.477 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -58.28 108.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -75.14 125.58 29.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.2 mt -92.82 125.85 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -75.57 95.18 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 89' ' ' PRO . 39.0 m-85 -91.83 30.63 1.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.4 m -86.87 -64.93 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -100.88 -45.18 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.401 ' CD ' HD21 ' A' ' 112' ' ' LEU . 15.6 ttm180 -151.96 135.71 9.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.423 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.76 91.98 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.89 165.39 27.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 66.7 mt -100.57 129.35 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -92.3 117.82 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.487 ' HB2' ' CG2' ' A' ' 109' ' ' ILE . 16.5 m-85 -105.87 173.82 6.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.539 ' HG3' ' CD2' ' A' ' 60' ' ' PHE . 12.0 mmm-85 -147.18 127.89 14.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.435 HG13 ' C ' ' A' ' 94' ' ' ARG . 18.5 mt -142.62 139.97 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.8 t -164.04 164.58 22.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.827 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.17 142.73 32.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 62.9 tttt -100.3 126.33 46.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -103.14 175.83 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -41.01 -33.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -89.1 -51.67 5.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 163.88 -158.39 30.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 96.4 m-85 -79.21 144.85 34.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.379 . . . . 0.0 110.941 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -123.29 -98.22 1.34 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.491 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . 54.4 Cg_endo -69.73 125.05 11.71 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.405 ' HB1' ' HE ' ' A' ' 94' ' ' ARG . . . -111.8 138.68 48.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.4 m -107.88 138.1 44.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -110.53 132.51 54.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.487 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 13.6 tt -131.25 154.56 40.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -120.49 134.9 55.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -113.73 114.63 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.401 HD21 ' CD ' ' A' ' 88' ' ' ARG . 55.9 mt -81.99 103.64 11.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.105 0 CA-C-O 120.841 0.267 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.76 -179.56 2.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.48 143.98 27.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HG3' HG22 ' A' ' 95' ' ' ILE . 53.5 Cg_endo -69.74 133.75 26.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.0 t -117.54 172.81 7.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.3 m 63.9 48.3 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.8 t -80.07 109.95 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -106.08 133.78 50.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.6 mt -121.0 121.45 65.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.9 m -125.47 143.28 51.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -68.5 133.11 48.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -113.01 150.36 32.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.05 -27.53 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -94.85 -14.82 24.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.1 -108.49 0.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.47 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.649 HD12 HD21 ' A' ' 78' ' ' LEU . 61.3 mt -129.71 133.59 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 0.0 111.149 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -103.06 98.79 8.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.696 HD23 ' HZ3' ' A' ' 27' ' ' TRP . 1.9 tp -86.17 137.85 32.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 m -153.02 142.59 21.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.696 ' HZ3' HD23 ' A' ' 25' ' ' LEU . 48.2 p90 -149.18 172.71 14.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -111.21 150.1 41.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 160.61 49.07 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.396 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 132.56 23.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.725 2.283 . . . . 0.0 112.286 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mm . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.814 0.34 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.7 mt -38.49 -72.29 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -144.51 -175.45 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -120.92 167.54 12.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -156.7 133.27 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -114.67 143.38 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -128.59 159.1 36.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.788 HD21 ' HB2' ' A' ' 81' ' ' ALA . 16.1 tp -142.2 120.37 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.55 126.14 18.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.412 ' CG2' ' HG2' ' A' ' 61' ' ' MET . 14.0 pt -112.64 -176.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.0 t -94.76 120.42 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.558 ' CD2' ' HD2' ' A' ' 94' ' ' ARG . 77.3 m-85 -107.13 124.59 49.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.412 ' HG2' ' CG2' ' A' ' 46' ' ' ILE . 4.0 ptt? -120.01 145.07 47.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -65.87 129.64 40.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.682 HD12 HG22 ' A' ' 73' ' ' VAL . 27.8 pt -111.73 -30.31 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -125.04 137.23 54.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.2 p -124.32 124.37 42.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.22 -163.66 36.98 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.37 11.18 8.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.485 ' HD3' ' N ' ' A' ' 69' ' ' THR . 7.6 tmtm? -100.79 153.07 19.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.485 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 70.4 p -82.44 20.99 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 p -124.18 133.05 53.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -127.57 160.74 30.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.512 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 25.8 m -130.36 133.47 46.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.682 HG22 HD12 ' A' ' 63' ' ' ILE . 25.4 t -127.15 116.87 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.8 p -85.21 170.98 12.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.47 -60.69 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -40.39 -44.53 3.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -68.86 -44.65 72.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.854 0.359 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.649 HD21 HD12 ' A' ' 23' ' ' ILE . 20.0 mt -51.24 -41.8 60.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.41 -39.34 32.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -73.24 -21.51 60.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.788 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -58.9 116.15 3.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -72.81 120.58 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 76.9 mt -103.07 140.22 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 84' ' ' ASP . 4.0 t0 -97.57 95.04 7.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 86' ' ' THR . 37.2 m-85 -76.2 -32.18 58.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 85' ' ' TYR . 83.2 m -36.15 -62.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.2 p -89.81 -68.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.488 ' NE ' HD21 ' A' ' 112' ' ' LEU . 31.0 ttp180 -150.19 139.35 13.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.642 0.734 . . . . 0.0 110.831 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 88' ' ' ARG . 52.9 Cg_endo -69.81 92.7 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.265 . . . . 0.0 112.3 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.8 152.39 49.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.593 HG21 ' CZ ' ' A' ' 93' ' ' PHE . 79.8 mt -86.53 116.23 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.05 104.23 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.732 ' CE1' HD13 ' A' ' 44' ' ' LEU . 47.3 m-85 -98.46 174.99 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.558 ' HD2' ' CD2' ' A' ' 60' ' ' PHE . 16.7 mtt180 -150.88 130.06 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.565 HG22 ' HG3' ' A' ' 11' ' ' PRO . 20.0 mt -133.13 135.14 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.2 t -156.11 165.71 35.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.29 138.38 52.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.143 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 55.6 tttt -101.77 117.23 34.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -109.38 172.36 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -38.85 -36.17 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -77.03 -61.42 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 174.65 -166.0 37.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.503 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 15.9 m-85 -76.73 131.59 38.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.943 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -82.3 -158.2 22.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 132.26 23.04 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.262 . . . . 0.0 112.361 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -92.66 122.59 35.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 52.3 m -78.96 131.54 36.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -97.36 121.2 38.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 14.8 tt -126.4 133.12 69.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -108.95 114.98 29.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.506 ' HE3' HD12 ' A' ' 91' ' ' ILE . 24.6 t90 -103.58 102.82 12.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.488 HD21 ' NE ' ' A' ' 88' ' ' ARG . 24.0 mt -57.03 111.59 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.169 0 CA-C-O 120.862 0.276 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.07 139.29 5.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.484 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -73.73 157.5 87.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 0.0 111.053 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.484 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 54.5 Cg_endo -69.7 150.62 68.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 t -117.76 169.17 9.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m 49.62 51.67 16.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.16 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.498 HG22 ' CB ' ' A' ' 27' ' ' TRP . 90.2 t -91.09 108.86 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -122.27 155.61 35.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.595 HG12 HD12 ' A' ' 25' ' ' LEU . 77.0 mt -122.07 121.16 63.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.6 t -111.66 143.8 41.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -80.39 115.68 20.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -92.77 162.59 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 m -69.9 -15.4 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -101.16 -23.98 14.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.67 -103.32 0.19 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.477 ' CD1' HD11 ' A' ' 78' ' ' LEU . 62.8 mt -129.55 144.59 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 111.169 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -118.67 98.97 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.595 HD12 HG12 ' A' ' 16' ' ' ILE . 1.5 tp -86.16 120.04 27.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 m -130.47 155.6 46.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.498 ' CB ' HG22 ' A' ' 14' ' ' VAL . 49.4 p90 -158.46 -179.26 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -128.16 153.39 78.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.667 0.746 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 146.57 60.23 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.25 . . . . 0.0 112.352 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 118.08 5.47 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.709 2.272 . . . . 0.0 112.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.3 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.817 0.341 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.3 mt -91.65 169.23 10.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -43.45 155.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -98.87 164.47 12.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 t -151.16 121.35 7.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.803 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -100.03 146.7 26.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 3.9 m-85 -132.3 163.55 28.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.971 HD13 ' CE1' ' A' ' 93' ' ' PHE . 49.0 tp -137.67 131.33 31.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.93 117.95 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.633 HD13 ' HG2' ' A' ' 61' ' ' MET . 8.5 pt -126.99 -175.61 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.99 117.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -90.99 141.27 29.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.633 ' HG2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -125.32 141.55 52.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -54.26 136.67 42.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.455 HD12 HG22 ' A' ' 73' ' ' VAL . 22.0 pt -126.63 -11.17 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.449 ' CD2' ' HB2' ' A' ' 71' ' ' CYS . 3.3 t80 -155.29 139.26 16.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.0 p -125.92 114.0 17.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.04 161.52 25.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.744 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.1 pt? -85.09 -8.42 58.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -68.04 148.59 50.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.9 p -89.52 36.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -165.9 156.31 12.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.449 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 18.2 p -155.79 171.98 19.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.8 m -122.98 130.79 53.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.455 HG22 HD12 ' A' ' 63' ' ' ILE . 86.4 t -115.51 106.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.6 p -71.06 172.21 9.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.68 -48.15 82.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -43.2 -45.95 6.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.409 ' OE1' HG13 ' A' ' 73' ' ' VAL . 73.3 mt-30 -65.18 -40.81 94.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' A' ' 23' ' ' ILE . 14.0 mt -58.71 -28.74 66.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.5 -28.19 68.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -92.78 -12.96 29.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.945 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -67.18 128.91 38.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -86.94 137.98 31.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 98.2 mt -109.83 136.62 45.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -87.06 100.13 12.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.43 ' CE1' ' HB3' ' A' ' 89' ' ' PRO . 33.8 m-85 -99.12 35.34 1.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.8 p -94.72 -52.21 4.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.3 m -119.09 -45.32 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.504 ' CD ' HD21 ' A' ' 112' ' ' LEU . 16.4 ttm180 -148.95 128.38 6.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.43 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.75 91.21 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.242 . . . . 0.0 112.381 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.615 ' HB2' HD23 ' A' ' 112' ' ' LEU . . . -141.69 146.92 36.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.7 mt -86.27 134.88 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.9 t -102.21 142.01 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.971 ' CE1' HD13 ' A' ' 44' ' ' LEU . 30.0 m-85 -132.17 170.81 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.53 ' HE ' ' HB1' ' A' ' 106' ' ' ALA . 0.5 OUTLIER -145.41 141.26 28.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.494 HD11 HD21 ' A' ' 25' ' ' LEU . 47.7 mt -146.9 126.67 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.0 173.42 14.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.57 ' C ' ' CD2' ' A' ' 103' ' ' TYR . . . -125.35 149.12 48.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 103' ' ' TYR . 18.4 ttmt -86.59 137.26 32.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 99' ' ' ASN . 18.7 t-20 -88.64 -74.55 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -129.15 -49.71 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.45 -29.28 5.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -150.02 -173.36 20.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.57 ' CD2' ' C ' ' A' ' 97' ' ' ALA . 1.8 m-85 -98.38 177.27 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.936 0.398 . . . . 0.0 110.897 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -115.45 -119.32 3.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 127.2 14.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.638 2.225 . . . . 0.0 112.335 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.53 ' HB1' ' HE ' ' A' ' 94' ' ' ARG . . . -99.98 123.72 44.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.084 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.48 151.42 39.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -129.91 111.44 12.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.9 tt -112.79 153.86 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -122.46 112.68 18.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -97.73 84.79 3.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.615 HD23 ' HB2' ' A' ' 90' ' ' ALA . 18.9 mt -59.41 97.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.525 ' HB2' ' HB3' ' A' ' 97' ' ' ALA . 53.5 Cg_endo . . . . . 0 C--O 1.23 0.118 0 CA-C-O 120.842 0.267 . . . . 0.0 112.367 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.22 134.77 12.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.39 150.31 82.39 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.582 0.706 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.506 ' HB3' ' CD1' ' A' ' 27' ' ' TRP . 53.8 Cg_endo -69.71 128.12 15.62 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.362 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.9 t -110.37 170.56 8.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 m 56.44 48.19 17.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.601 HG22 ' CB ' ' A' ' 27' ' ' TRP . 99.1 t -80.02 120.46 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -121.81 142.59 50.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.654 HD12 ' HB2' ' A' ' 111' ' ' TRP . 7.8 mt -118.65 119.79 62.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 t -113.35 138.15 50.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -77.04 116.71 17.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -101.03 157.18 16.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -61.7 -25.66 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -90.39 -18.36 25.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.97 -111.89 0.5 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.779 HD12 HD21 ' A' ' 78' ' ' LEU . 64.8 mt -129.66 133.76 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 111.124 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -108.46 99.87 9.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.716 HD21 HD11 ' A' ' 95' ' ' ILE . 2.0 tp -79.04 131.55 36.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.0 m -141.2 149.56 41.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.601 ' CB ' HG22 ' A' ' 14' ' ' VAL . 47.5 p90 -155.58 169.74 23.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -110.7 148.23 38.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 157.08 61.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 151.84 69.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.709 HG21 ' CZ ' ' A' ' 40' ' ' TYR . 5.3 mm . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.849 0.357 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.4 mt -44.21 -60.34 1.95 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -150.71 174.18 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.709 ' CZ ' HG21 ' A' ' 37' ' ' ILE . 90.0 m-85 -123.86 165.47 17.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -157.94 139.39 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.533 ' C ' ' CD1' ' A' ' 43' ' ' TYR . . . -112.45 156.76 22.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.07 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.533 ' CD1' ' C ' ' A' ' 42' ' ' ALA . 1.6 m-85 -143.94 151.81 40.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.966 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.013 HD13 ' CE1' ' A' ' 93' ' ' PHE . 13.5 tp -128.99 130.31 46.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.631 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -64.47 135.31 55.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.11 178.09 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 59' ' ' VAL . 7.4 p -80.79 119.68 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.631 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 52.8 m-85 -104.99 115.18 29.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -94.25 137.97 32.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -63.05 135.86 57.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.3 pt -125.53 -4.26 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -149.33 133.6 17.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.4 p -125.86 109.58 12.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.06 -178.61 48.84 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.71 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.2 pt? -105.55 -8.26 18.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.93 0.395 . . . . 0.0 110.915 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -68.27 147.22 52.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.7 p -94.28 36.23 1.15 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.8 p -163.78 125.24 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.5 p -133.04 171.15 14.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.0 m -124.96 130.79 53.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.8 t -104.39 117.65 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 64.9 p -77.1 164.54 25.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.67 98.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.63 -36.79 25.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -80.3 -38.88 29.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.779 HD21 HD12 ' A' ' 23' ' ' ILE . 37.6 mt -56.02 -39.42 71.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.63 -38.16 59.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -80.65 -15.73 55.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.658 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -61.11 114.4 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.064 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -78.65 119.29 21.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.7 mt -90.89 128.67 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -73.37 113.53 10.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -107.46 31.49 5.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.7 t -102.35 -28.6 12.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.193 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 m -132.59 -48.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.8 mtm-85 -152.52 127.92 4.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.582 0.706 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 81.77 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.67 2.247 . . . . 0.0 112.319 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.412 ' HB1' ' C ' ' A' ' 111' ' ' TRP . . . -136.95 166.24 24.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.0 mt -86.13 120.34 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 97.8 t -92.89 124.58 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 1.013 ' CE1' HD13 ' A' ' 44' ' ' LEU . 36.8 m-85 -114.9 166.05 12.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.409 ' CG ' ' CE2' ' A' ' 60' ' ' PHE . 21.1 mmt180 -142.43 119.77 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.716 HD11 HD21 ' A' ' 25' ' ' LEU . 16.4 mt -128.61 144.45 37.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.1 t -156.14 174.21 15.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.527 ' HB1' HG23 ' A' ' 37' ' ' ILE . . . -111.79 158.8 18.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.545 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 19.8 tttp -111.05 132.45 54.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 100' ' ' GLU . 39.7 m-20 -122.59 166.12 15.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' ASN . 22.5 tt0 -36.44 -38.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 102' ' ' GLY . 1.0 OUTLIER -85.22 -52.66 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.4 ' N ' ' HG3' ' A' ' 101' ' ' LYS . . . 161.95 -159.57 31.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.545 ' CE1' ' HG3' ' A' ' 98' ' ' LYS . 88.0 m-85 -85.11 158.03 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.944 0.402 . . . . 0.0 110.955 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -143.17 -95.06 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.422 ' CG ' ' O ' ' A' ' 8' ' ' PRO . 54.5 Cg_endo -69.68 125.4 12.14 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.68 2.253 . . . . 0.0 112.39 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.07 158.35 21.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.13 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.1 m -118.45 132.74 56.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -113.12 130.56 56.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.41 ' CG1' ' N ' ' A' ' 110' ' ' ARG . 16.0 tt -121.16 162.86 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.41 ' N ' ' CG1' ' A' ' 109' ' ' ILE . 52.2 mtt180 -129.9 104.74 7.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.654 ' HB2' HD12 ' A' ' 16' ' ' ILE . 8.8 t90 -101.2 104.4 15.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.0 123.11 22.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.12 0 CA-C-O 120.862 0.276 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.57 -167.38 39.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.456 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.443 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -103.04 155.88 36.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.443 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 53.5 Cg_endo -69.74 124.22 10.88 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.32 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -110.13 159.97 16.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 m 63.89 44.83 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.4 t -83.37 105.59 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -106.6 150.14 26.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.7 mt -132.1 134.26 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -135.02 124.22 24.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -68.98 126.06 28.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -107.87 164.85 11.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.0 t -61.65 -41.79 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -71.41 -29.0 64.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.72 -117.83 0.68 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.701 HD12 HD21 ' A' ' 78' ' ' LEU . 65.6 mt -125.59 143.11 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -111.4 114.15 27.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tp -104.78 124.55 49.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.4 p -131.75 146.78 52.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.46 ' NE1' ' HA ' ' A' ' 69' ' ' THR . 49.4 p90 -147.25 -176.24 5.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -147.75 155.03 44.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 157.42 60.47 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -49.54 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 38' ' ' LEU . 83.3 mt . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.818 0.342 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 37' ' ' ILE . 84.6 mt -34.36 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -146.48 156.79 43.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -97.61 169.04 9.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.2 t -143.29 136.07 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.75 110.49 16.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -96.56 152.6 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 81' ' ' ALA . 8.9 tp -134.44 106.4 7.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.673 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -35.98 132.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 44' ' ' LEU . 34.4 pt -126.34 139.18 52.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' N ' ' HB2' ' A' ' 82' ' ' HIS . 5.1 tmm_? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.846 0.355 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.2 t -85.34 135.53 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.673 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 44.5 m-85 -116.48 141.38 48.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -128.82 153.29 47.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -76.33 127.05 32.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 64' ' ' TYR . 43.1 pt -111.92 -36.14 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.468 ' N ' HG13 ' A' ' 63' ' ' ILE . 11.9 t80 -125.13 135.25 52.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.4 p -127.93 121.68 30.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 168.25 -170.82 42.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.65 18.18 8.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' SER . 20.9 tptt -77.17 8.38 4.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.46 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 3.4 p 41.61 24.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' LYS . 87.3 p -171.76 144.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 64' ' ' TYR . 15.2 p -150.63 172.01 16.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.8 m -124.75 131.75 53.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.103 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.4 t -107.06 135.73 44.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.0 p -98.15 171.9 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -59.53 -54.33 47.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.057 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.15 -57.07 1.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -66.62 -43.1 85.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.949 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.701 HD21 HD12 ' A' ' 23' ' ' ILE . 13.6 mt -47.48 -44.9 25.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.89 -39.39 18.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -71.71 -26.66 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.67 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -56.45 141.27 43.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 2.5 t60 -93.3 116.18 28.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 86.6 mt -94.01 126.22 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -86.02 120.99 28.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.463 ' CE1' ' HB3' ' A' ' 89' ' ' PRO . 55.5 m-85 -114.09 40.19 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.1 m -87.37 -58.9 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.8 p -113.8 -45.45 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -147.19 132.68 9.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.463 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.81 97.31 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.658 ' HB2' HD23 ' A' ' 112' ' ' LEU . . . -141.9 155.53 45.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.7 mt -88.3 139.25 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.3 t -95.17 140.87 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.503 ' CE1' HD13 ' A' ' 44' ' ' LEU . 48.3 m-85 -139.07 146.84 41.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -131.41 135.89 47.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 32.1 mt -140.9 143.12 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.8 p -152.65 174.96 13.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -127.11 131.37 50.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -111.51 131.96 54.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -102.01 -71.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -130.97 -59.0 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -65.9 -58.95 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -175.48 -156.05 13.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -93.2 146.62 23.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.922 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.09 -133.71 2.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 133.66 26.11 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.704 2.269 . . . . 0.0 112.383 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.93 122.63 43.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 89.3 m -84.98 137.17 33.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -109.86 118.38 36.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.4 tt -119.51 141.46 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -109.57 93.87 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 22.8 t90 -75.71 118.13 18.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.658 HD23 ' HB2' ' A' ' 90' ' ' ALA . 71.2 mt -74.93 121.05 21.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.916 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.114 0 CA-C-O 120.88 0.283 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.55 152.88 0.32 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.88 152.29 50.95 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.592 0.71 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.403 ' HG3' HG22 ' A' ' 95' ' ' ILE . 54.2 Cg_endo -69.76 153.53 68.82 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.0 m -135.83 158.92 43.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 m 70.24 45.06 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.6 t -74.21 130.58 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -132.38 131.44 41.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.8 mt -114.45 132.85 62.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.1 m -123.49 127.55 48.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -67.64 127.07 31.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -111.96 145.24 39.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.7 t -51.45 -40.55 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -72.52 -29.83 63.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.63 -121.41 0.87 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.762 HD12 HD21 ' A' ' 78' ' ' LEU . 79.7 mt -118.4 141.47 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -118.26 102.82 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.718 HD21 HD11 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -87.33 141.56 28.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -150.25 161.54 42.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.477 ' CE2' ' HA ' ' A' ' 69' ' ' THR . 41.5 p90 -170.97 171.57 5.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -117.42 149.98 45.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.602 0.715 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 159.95 51.52 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.663 2.242 . . . . 0.0 112.364 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 159.36 53.67 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.323 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.5 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.86 0.362 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.3 mt -52.84 -66.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.426 ' HG3' HD22 ' A' ' 67' ' ' LEU . 24.2 mp0 -148.68 166.78 27.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -103.96 164.77 11.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 t -143.88 149.02 36.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.25 115.87 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -103.03 145.67 29.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.967 HD21 ' HB2' ' A' ' 81' ' ' ALA . 11.1 tp -129.91 115.7 17.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . . . -55.44 135.14 50.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.541 HD12 ' HG2' ' A' ' 61' ' ' MET . 0.2 OUTLIER -121.71 152.04 25.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.408 ' HD2' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.573 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 15.2 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.819 0.342 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.8 t -80.0 136.52 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CE1' ' O ' ' A' ' 58' ' ' LEU . 19.9 m-85 -118.62 140.81 49.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.541 ' HG2' HD12 ' A' ' 46' ' ' ILE . 5.0 ptt? -106.46 145.56 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -73.41 120.32 18.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 64' ' ' TYR . 41.6 pt -107.26 -37.8 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.51 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.7 t80 -130.0 137.72 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.3 t -129.11 106.87 9.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.31 159.26 22.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.479 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.56 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -93.16 21.84 5.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.903 0.382 . . . . 0.0 110.975 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -75.53 7.3 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.477 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 25.4 p 43.78 26.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.1 m -159.31 155.45 26.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.491 ' SG ' ' CD1' ' A' ' 64' ' ' TYR . 68.5 m -144.3 169.86 17.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.6 m -135.91 123.82 22.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.612 HG12 ' HG ' ' A' ' 78' ' ' LEU . 73.7 t -124.21 121.4 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 48.0 p -101.78 175.1 5.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -47.12 -54.46 10.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.69 -62.62 0.79 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -66.87 -45.84 76.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.762 HD21 HD12 ' A' ' 23' ' ' ILE . 23.7 mt -44.83 -45.26 10.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.0 -39.56 20.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -72.44 -28.84 63.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.967 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -71.03 137.01 48.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.557 ' CD2' ' OD1' ' A' ' 84' ' ' ASP . 7.4 p-80 -81.08 146.33 30.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 50.1 mm -108.6 106.45 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.557 ' OD1' ' CD2' ' A' ' 82' ' ' HIS . 7.1 m-20 -74.2 97.65 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 87' ' ' SER . 33.5 m-85 -83.94 20.87 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.964 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.6 m -59.13 78.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 85' ' ' TYR . 1.1 t 53.59 25.04 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.441 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 34.9 ttm180 -178.98 104.99 0.2 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.708 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.4 Cg_endo -69.79 94.79 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 112' ' ' LEU . . . -142.22 173.19 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.3 mt -111.97 133.7 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.8 HG13 ' CD ' ' A' ' 108' ' ' GLN . 57.5 t -90.88 121.08 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.583 ' CE1' HD13 ' A' ' 44' ' ' LEU . 54.6 m-85 -117.67 155.67 29.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.448 ' C ' HG13 ' A' ' 95' ' ' ILE . 9.7 ttt180 -133.16 136.93 46.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.718 HD11 HD21 ' A' ' 25' ' ' LEU . 30.3 mt -143.13 134.08 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.5 t -148.48 165.13 32.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.24 140.07 38.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 39.4 tttp -98.32 130.82 44.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.451 ' ND2' ' HB2' ' A' ' 101' ' ' LYS . 16.0 p-10 -127.37 169.03 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' ASN . 15.6 mt-10 -37.73 -40.03 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.451 ' HB2' ' ND2' ' A' ' 99' ' ' ASN . 0.5 OUTLIER -68.16 -63.12 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 176.96 -97.04 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 25.3 m-85 -141.33 122.46 14.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.391 . . . . 0.0 110.938 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.38 -151.67 3.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 127.53 14.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -89.28 153.82 20.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.067 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.3 m -116.62 135.55 53.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.8 ' CD ' HG13 ' A' ' 92' ' ' VAL . 0.2 OUTLIER -107.21 145.97 31.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.1 tt -145.12 144.4 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.416 HH11 ' NE2' ' A' ' 108' ' ' GLN . 0.8 OUTLIER -106.99 117.14 33.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 26.3 t90 -107.87 98.28 7.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 90' ' ' ALA . 3.8 mt -44.55 126.27 5.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.449 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 53.9 Cg_endo . . . . . 0 N--CA 1.467 -0.085 0 CA-C-O 120.871 0.279 . . . . 0.0 112.355 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -41.2 148.02 0.31 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.5 147.22 87.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.621 0.724 . . . . 0.0 111.081 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 153.72 68.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.2 t -128.33 160.03 33.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 13' ' ' THR . 7.5 m 71.44 44.38 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.149 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.99 108.43 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -107.27 142.67 36.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.678 HG12 HD12 ' A' ' 25' ' ' LEU . 79.1 mt -125.93 143.33 39.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.5 m -150.26 119.11 6.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -66.42 131.13 45.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -113.59 169.09 9.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.5 m -62.68 -29.87 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.18 -28.59 29.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.24 -113.53 0.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.59 HD11 HD11 ' A' ' 78' ' ' LEU . 54.9 mt -122.15 139.84 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.113 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -112.73 96.98 6.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.678 HD12 HG12 ' A' ' 16' ' ' ILE . 1.7 tp -89.33 151.03 22.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.7 t -154.28 162.65 41.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 43.5 p90 -167.94 163.27 13.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -106.22 147.94 35.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.648 0.737 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 153.09 69.38 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.736 2.29 . . . . 0.0 112.326 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 98.49 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.709 2.272 . . . . 0.0 112.365 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 38' ' ' LEU . 50.2 mm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.867 0.365 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 37' ' ' ILE . 76.2 mt -34.12 -56.27 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -169.52 176.47 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -111.83 167.96 9.95 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -158.05 145.76 18.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.58 131.23 52.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -115.45 146.36 41.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.764 HD13 ' CE1' ' A' ' 93' ' ' PHE . 37.0 tp -122.81 110.23 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.854 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -48.77 124.04 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.036 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.59 HG23 ' O ' ' A' ' 44' ' ' LEU . 46.7 pt -123.84 139.54 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.491 ' N ' ' HB2' ' A' ' 82' ' ' HIS . 12.2 ptm180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.4 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.809 0.337 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.3 t -119.97 98.82 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.854 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 19.8 m-85 -94.12 157.61 16.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -142.59 144.21 32.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -65.25 121.52 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 64' ' ' TYR . 32.6 pt -106.41 -35.48 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.469 ' N ' HG13 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -125.15 147.5 49.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.5 p -129.02 123.42 32.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.16 176.42 40.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.426 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -106.25 15.32 26.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.919 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -79.27 160.73 26.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.3 p -103.39 12.99 34.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.8 m -161.87 123.75 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 23.5 p -124.38 172.26 9.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.6 m -122.91 127.32 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.193 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 91.5 t -102.1 136.38 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.5 p -95.0 166.16 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -63.48 -52.02 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.78 -42.28 0.49 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -76.48 -45.08 32.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.59 HD11 HD11 ' A' ' 23' ' ' ILE . 13.9 mt -43.42 -44.09 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.76 -43.48 48.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -72.61 -26.42 61.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.521 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -59.35 144.82 45.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.491 ' HB2' ' N ' ' A' ' 47' ' ' ARG . 10.9 t60 -84.9 145.08 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.1 mm -113.47 100.08 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -74.64 98.27 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.55 ' O ' ' N ' ' A' ' 87' ' ' SER . 32.6 m-85 -83.19 18.98 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 66.0 m -56.24 77.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 85' ' ' TYR . 16.4 m 53.21 25.0 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.961 ' HG2' HD21 ' A' ' 112' ' ' LEU . 22.2 ttt180 -178.31 105.01 0.21 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.613 0.721 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.8 Cg_endo -69.74 96.03 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.638 2.225 . . . . 0.0 112.347 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.598 ' HB2' HD23 ' A' ' 112' ' ' LEU . . . -141.13 168.42 19.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 71.0 mt -103.84 132.47 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.639 HG12 ' HE2' ' A' ' 60' ' ' PHE . 66.7 t -88.1 139.32 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.764 ' CE1' HD13 ' A' ' 44' ' ' LEU . 26.7 m-85 -136.93 166.72 22.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.524 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 45.4 mtt-85 -158.09 126.53 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.642 HD11 HD21 ' A' ' 25' ' ' LEU . 17.7 mt -125.98 137.05 58.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 t -145.79 164.59 31.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.449 ' O ' ' CG ' ' A' ' 8' ' ' PRO . . . -123.79 166.17 16.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -109.99 141.55 42.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -117.08 -71.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -134.88 -59.21 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -80.91 -52.21 7.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -169.98 -129.77 1.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 97' ' ' ALA . 27.7 m-85 -113.54 156.61 23.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.912 0.387 . . . . 0.0 110.946 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.93 -112.62 2.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 131.61 21.54 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.254 . . . . 0.0 112.342 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.76 132.59 52.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.7 m -82.45 113.35 20.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -95.03 148.46 22.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.2 tt -159.6 148.97 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -119.31 105.04 10.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -87.37 108.39 18.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.961 HD21 ' HG2' ' A' ' 88' ' ' ARG . 14.3 mt -61.08 111.81 1.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.159 0 CA-C-O 120.812 0.255 . . . . 0.0 112.387 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.45 143.63 17.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.57 153.07 85.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 135.58 30.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -115.71 172.58 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.51 HG22 ' HD2' ' A' ' 15' ' ' ARG . 6.9 m 47.83 51.55 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -79.81 121.12 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.51 ' HD2' HG22 ' A' ' 13' ' ' THR . 0.6 OUTLIER -108.68 148.9 29.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.465 HD12 ' HB2' ' A' ' 111' ' ' TRP . 22.3 mt -134.55 125.89 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -137.59 117.31 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -65.52 134.5 53.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.956 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -105.0 161.78 13.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 20' ' ' VAL . 51.3 t -60.63 -9.99 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -108.07 -1.78 20.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.93 -120.3 1.3 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.707 HD12 HD11 ' A' ' 78' ' ' LEU . 96.6 mt -123.63 143.92 35.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.89 0.376 . . . . 0.0 111.109 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -124.57 105.58 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.552 HD21 HD11 ' A' ' 95' ' ' ILE . 2.6 tp -86.59 130.01 34.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.7 p -134.33 160.45 37.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 26.5 p90 -169.82 175.62 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -119.93 148.7 47.2 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.491 ' HD3' HG21 ' A' ' 69' ' ' THR . 53.9 Cg_endo -69.72 142.45 48.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.727 2.285 . . . . 0.0 112.357 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 147.93 64.38 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.799 HD12 ' HB1' ' A' ' 97' ' ' ALA . 42.4 mm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.9 mt -43.86 -56.51 3.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -152.84 178.74 9.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.598 ' CZ ' HG21 ' A' ' 37' ' ' ILE . 87.5 m-85 -129.04 166.68 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.6 p -163.68 147.88 10.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -116.2 162.34 17.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -143.68 159.85 41.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.098 HD21 ' HB2' ' A' ' 81' ' ' ALA . 12.7 tp -146.78 136.66 23.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.849 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -78.41 127.13 31.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.704 HD13 ' H ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -132.72 147.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.6 ptt85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.424 HD22 ' HB1' ' A' ' 45' ' ' ALA . 11.3 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.868 0.366 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.1 t -106.94 118.0 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.849 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 27.4 m-85 -102.34 135.78 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -114.74 149.44 36.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -71.15 112.75 7.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.2 pt -101.09 -12.41 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.47 ' CD2' ' HB2' ' A' ' 71' ' ' CYS . 18.8 t80 -149.48 132.29 16.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.5 t -128.49 102.63 6.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -172.08 166.63 39.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.801 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -83.44 -28.4 28.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.99 140.43 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.491 HG21 ' HD3' ' A' ' 29' ' ' PRO . 40.2 p -88.84 40.84 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 92.1 p -169.05 128.04 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 19.7 p -129.62 171.53 12.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.0 m -126.74 137.45 53.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.3 t -112.37 121.11 64.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.2 p -82.68 152.63 25.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -46.78 -54.42 9.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.06 -37.01 7.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -72.05 -47.13 53.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 110.933 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.707 HD11 HD12 ' A' ' 23' ' ' ILE . 19.0 mt -52.29 -43.59 64.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.89 -38.69 10.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -73.07 -26.35 61.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 1.098 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -65.68 143.07 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -94.64 146.59 24.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.9 mt -113.47 117.72 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -72.8 114.93 11.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -106.33 38.12 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.5 m -90.23 -58.32 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.0 t -121.26 -48.02 2.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.486 ' NE ' HD11 ' A' ' 112' ' ' LEU . 2.6 ttt85 -139.2 123.99 11.55 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 83.87 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.427 ' HB2' HD22 ' A' ' 112' ' ' LEU . . . -128.09 164.64 21.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.092 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 88.2 mt -89.85 131.7 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.0 t -90.62 106.19 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -101.12 160.46 14.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.44 ' HG3' ' CD2' ' A' ' 60' ' ' PHE . 24.5 mmt180 -140.06 125.53 19.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.552 HD11 HD21 ' A' ' 25' ' ' LEU . 14.5 mt -135.97 141.73 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.7 t -142.95 -178.09 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.799 ' HB1' HD12 ' A' ' 37' ' ' ILE . . . -132.32 138.67 47.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -84.36 142.42 30.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -112.17 -61.38 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -123.73 -64.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -124.01 -23.99 4.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.33 -169.79 12.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -114.97 161.34 18.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.949 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -86.15 -141.92 6.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 140.35 42.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 2.249 . . . . 0.0 112.306 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.66 125.17 45.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 99.0 m -79.33 137.37 37.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.185 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -109.69 118.61 37.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.1 tt -118.22 154.35 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -122.28 98.91 6.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.465 ' HB2' HD12 ' A' ' 16' ' ' ILE . 34.1 t90 -91.64 117.03 29.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.486 HD11 ' NE ' ' A' ' 88' ' ' ARG . 0.5 OUTLIER -53.75 101.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.951 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.435 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.81 0.254 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.11 162.22 12.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.514 ' HB1' ' OG1' ' A' ' 107' ' ' THR . . . -88.15 145.57 36.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.556 0.693 . . . . 0.0 111.119 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.459 ' HG3' HG22 ' A' ' 95' ' ' ILE . 53.7 Cg_endo -69.81 144.46 53.82 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.72 2.28 . . . . 0.0 112.299 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.4 p -132.18 166.85 20.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 13' ' ' THR . 17.9 m 65.62 40.1 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 26' ' ' SER . 99.0 t -70.93 134.91 29.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -130.71 141.76 50.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.7 mt -128.73 120.91 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 t -118.33 155.07 31.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.3 127.2 32.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -105.04 147.98 27.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.6 t -54.59 -39.16 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.454 ' OD2' HG22 ' A' ' 74' ' ' THR . 18.7 t0 -79.77 -28.04 40.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.43 -101.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.602 HD12 HD21 ' A' ' 78' ' ' LEU . 58.8 mt -126.4 140.07 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 111.089 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -110.97 100.61 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tp -85.04 141.03 30.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.476 ' O ' HG13 ' A' ' 14' ' ' VAL . 1.3 t -147.49 162.49 38.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.4 p90 -165.8 177.59 7.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -125.37 154.85 72.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.674 0.749 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 148.34 64.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 148.03 64.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.385 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 31' ' ' THR . 2.0 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.4 mm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.849 0.357 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 39' ' ' GLU . 11.6 mt -76.27 175.77 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' LEU . 8.0 mp0 -37.19 153.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -95.49 169.02 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 t -135.79 123.43 22.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.816 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.2 120.12 41.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -109.47 163.69 13.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.898 HD21 ' HB2' ' A' ' 81' ' ' ALA . 10.4 tp -145.21 119.37 9.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 1.056 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -54.2 128.9 32.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.471 HG22 ' HA ' ' A' ' 81' ' ' ALA . 2.9 pp -140.2 176.9 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.888 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.1 t -84.16 113.91 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 1.056 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 5.0 m-85 -95.4 155.73 16.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.79 127.59 37.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 62' ' ' ARG . 7.4 tmm_? -49.92 126.53 14.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 64' ' ' TYR . 25.7 pt -108.61 -33.15 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.472 ' N ' HG13 ' A' ' 63' ' ' ILE . 9.8 t80 -137.22 136.07 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 16.2 p -127.9 88.2 2.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.426 ' N ' ' CE1' ' A' ' 64' ' ' TYR . . . -150.22 167.41 30.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.487 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.573 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.3 pt? -84.8 -34.73 22.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.46 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -45.32 148.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.842 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.8 p -92.05 39.21 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -158.58 125.01 4.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 72' ' ' THR . 0.5 OUTLIER -121.38 161.0 22.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.517 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 50.7 m -126.83 144.11 51.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -128.02 140.38 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.454 HG22 ' OD2' ' A' ' 21' ' ' ASP . 61.8 p -111.11 169.5 8.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.94 -51.12 71.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.87 -40.52 1.08 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -85.49 -48.63 8.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.602 HD21 HD12 ' A' ' 23' ' ' ILE . 19.8 mt -41.11 -52.72 3.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.36 -39.66 7.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -71.06 -27.87 63.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.898 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -61.22 133.78 56.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -72.63 104.75 4.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.4 mm -76.8 104.29 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.57 94.85 2.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.463 ' O ' ' N ' ' A' ' 87' ' ' SER . 14.2 m-85 -81.36 10.36 5.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 60.8 p -52.07 86.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' TYR . 17.0 m 44.6 24.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.674 ' CG ' HD21 ' A' ' 112' ' ' LEU . 20.1 ttm180 -178.37 105.02 0.21 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.725 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 90.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.73 172.09 13.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 84.8 mt -114.99 142.16 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 76.7 t -102.3 121.38 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.489 ' CE1' HD13 ' A' ' 44' ' ' LEU . 56.4 m-85 -112.01 166.74 10.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.486 ' HG3' ' CD2' ' A' ' 60' ' ' PHE . 15.7 mmt180 -141.34 136.05 31.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.459 HG22 ' HG3' ' A' ' 11' ' ' PRO . 35.1 mt -142.92 134.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.4 m -150.02 162.04 41.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.32 155.65 18.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.091 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.525 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 23.1 tttp -118.12 127.06 53.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.435 ' ND2' ' HB3' ' A' ' 8' ' ' PRO . 11.9 m-20 -121.12 169.4 10.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 99' ' ' ASN . 5.4 mm-40 -36.79 -40.65 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -72.2 -62.4 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 171.71 -117.19 0.66 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.525 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 73.4 m-85 -126.12 135.63 51.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.385 . . . . 0.0 110.926 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -104.32 -121.42 4.92 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 136.15 32.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -101.4 145.16 29.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.514 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 62.8 m -109.91 133.97 52.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -116.51 155.5 28.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.3 tt -154.69 149.44 12.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 43.5 mtm-85 -112.39 131.38 55.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -126.09 100.89 6.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.674 HD21 ' CG ' ' A' ' 88' ' ' ARG . 7.1 mt -52.04 128.32 24.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.943 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.125 0 CA-C-O 120.843 0.268 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.93 164.72 12.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.47 154.52 37.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.5 ' HG3' HG22 ' A' ' 95' ' ' ILE . 53.7 Cg_endo -69.8 121.11 7.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.258 . . . . 0.0 112.313 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 t -106.62 164.38 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 13' ' ' THR . 7.7 m 66.17 38.45 4.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.401 HG22 ' CB ' ' A' ' 27' ' ' TRP . 93.3 t -79.0 110.27 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -119.43 133.14 55.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.7 mt -112.78 123.23 68.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.5 m -117.07 124.78 50.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -69.63 119.98 14.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -101.24 149.31 24.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -53.14 -38.91 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -75.48 -29.91 59.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.85 -127.36 1.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.638 HD12 HD21 ' A' ' 78' ' ' LEU . 57.2 mt -116.32 138.41 46.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 111.186 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -115.64 100.22 7.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.537 HD21 HD11 ' A' ' 95' ' ' ILE . 1.2 tp -83.86 141.9 30.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 m -151.62 157.51 42.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.512 ' CE2' ' HA ' ' A' ' 69' ' ' THR . 49.1 p90 -164.32 178.22 7.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -129.69 155.86 79.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.5 69.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.707 2.272 . . . . 0.0 112.376 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 31' ' ' THR . 53.3 Cg_endo -69.76 -162.72 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.505 HG21 ' CE1' ' A' ' 40' ' ' TYR . 25.3 mm . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.851 0.358 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.8 mt -80.68 -55.95 4.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -168.16 166.39 12.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.505 ' CE1' HG21 ' A' ' 37' ' ' ILE . 82.7 m-85 -114.91 167.67 10.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.9 p -162.77 144.74 10.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.51 140.11 39.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -121.2 162.89 19.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 81' ' ' ALA . 19.0 tp -147.4 119.58 8.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.637 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . . . -60.6 120.45 10.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.804 ' O ' HD12 ' A' ' 46' ' ' ILE . 2.4 pp -138.91 140.89 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.923 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.899 0.381 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.6 m -78.74 144.73 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.637 ' CZ ' ' HB2' ' A' ' 45' ' ' ALA . 4.0 m-85 -123.42 145.25 48.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.473 ' CE ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -123.35 140.34 53.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -62.78 126.94 29.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 64' ' ' TYR . 40.8 pt -104.72 -35.99 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.525 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -143.92 145.56 32.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.2 p -129.04 123.92 33.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.59 164.19 20.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.587 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -95.79 18.47 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 70' ' ' SER . 35.2 tttt -74.99 5.48 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.512 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 63.6 p 38.27 26.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 68' ' ' LYS . 1.0 OUTLIER -166.84 153.82 8.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.875 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 19.6 p -158.45 172.07 19.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.9 m -127.25 124.23 38.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.2 t -110.18 123.42 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.9 p -98.65 170.94 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -46.86 -51.35 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.59 -66.37 0.39 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.468 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -61.4 -43.32 99.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.921 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.638 HD21 HD12 ' A' ' 23' ' ' ILE . 20.1 mt -49.27 -44.3 43.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.02 -38.88 18.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.042 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -72.64 -25.8 61.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.734 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -58.18 142.3 47.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -106.29 109.1 20.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.3 133.81 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.07 99.61 6.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -93.14 42.96 1.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.4 p -98.86 -48.67 4.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.2 m -129.75 -48.06 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.594 ' CD ' HD21 ' A' ' 112' ' ' LEU . 13.6 ttm180 -138.84 121.64 10.68 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.59 0.709 . . . . 0.0 110.841 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 93.54 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.882 ' HB2' HD23 ' A' ' 112' ' ' LEU . . . -139.89 157.6 45.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.1 mt -91.79 126.34 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.1 t -94.59 121.75 45.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -108.86 171.42 7.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.606 ' HD2' ' HB1' ' A' ' 106' ' ' ALA . 12.8 mmt85 -149.41 125.84 10.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.537 HD11 HD21 ' A' ' 25' ' ' LEU . 25.6 mt -134.29 138.2 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.71 170.99 17.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.63 141.31 51.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -84.22 143.87 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -110.67 -70.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -126.26 -63.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -92.01 -45.69 8.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -153.96 -150.17 5.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -100.12 168.2 9.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 110.938 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.09 -106.25 2.51 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 126.21 13.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.357 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.606 ' HB1' ' HD2' ' A' ' 94' ' ' ARG . . . -104.03 131.42 51.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.1 m -87.03 134.83 33.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -110.62 110.84 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 13.9 tt -115.43 136.35 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -105.35 107.47 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -100.64 105.39 16.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.882 HD23 ' HB2' ' A' ' 90' ' ' ALA . 80.5 mt -58.7 105.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.702 ' HB2' ' HB3' ' A' ' 97' ' ' ALA . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.136 0 CA-C-O 120.847 0.27 . . . . 0.0 112.328 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.13 162.08 21.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.458 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.58 141.63 93.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.559 0.695 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 158.29 57.42 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.6 p -133.71 166.46 22.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 m 60.48 52.75 4.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.699 HG22 ' HB2' ' A' ' 27' ' ' TRP . 83.0 t -95.29 112.78 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -122.41 141.9 51.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 53.4 mt -118.24 134.2 62.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.176 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 m -143.33 135.48 26.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -69.47 126.45 29.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -116.86 168.15 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.8 m -52.48 -38.5 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.31 26.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.65 -104.33 2.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.69 HD12 HD21 ' A' ' 78' ' ' LEU . 94.2 mt -118.94 145.78 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 111.127 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -120.36 97.34 5.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tp -86.21 118.48 25.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.8 p -133.34 135.79 44.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.699 ' HB2' HG22 ' A' ' 14' ' ' VAL . 45.3 p90 -144.07 176.12 9.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -122.65 153.03 62.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.588 0.708 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 164.32 34.98 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.94 40.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.6 mm . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.863 0.363 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.438 ' C ' ' CD ' ' A' ' 39' ' ' GLU . 26.0 mt -66.14 -67.58 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.438 ' CD ' ' C ' ' A' ' 38' ' ' LEU . 43.3 mp0 -156.97 163.62 38.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -109.8 168.65 9.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.8 t -148.78 125.44 11.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.43 134.64 48.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.061 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 4.2 m-85 -123.78 154.89 38.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.816 HD21 ' HB2' ' A' ' 81' ' ' ALA . 8.5 tp -128.98 128.22 43.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.66 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . . . -58.34 131.85 51.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.48 HG21 ' SD ' ' A' ' 61' ' ' MET . 42.1 pt -127.18 172.73 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.916 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.855 0.359 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.3 m -76.51 147.83 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.66 ' CZ ' ' HB2' ' A' ' 45' ' ' ALA . 3.1 m-85 -114.71 168.78 9.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.48 ' SD ' HG21 ' A' ' 46' ' ' ILE . 17.4 ptt? -124.66 138.46 54.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -65.14 118.79 9.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.514 HD12 HG22 ' A' ' 73' ' ' VAL . 30.1 pt -110.0 -25.47 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -150.92 135.1 16.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.3 t -128.4 89.46 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -153.51 164.11 30.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.585 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -94.74 18.68 11.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.933 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 70' ' ' SER . 23.0 ttpp -87.88 4.8 43.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.546 ' HA ' ' CZ2' ' A' ' 27' ' ' TRP . 41.9 p 39.74 24.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' LYS . 67.9 m -159.99 138.4 10.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.2 p -156.1 163.48 39.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 23' ' ' ILE . 72.3 m -110.78 135.07 51.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.514 HG22 HD12 ' A' ' 63' ' ' ILE . 58.7 t -108.31 110.14 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.8 p -78.44 177.14 8.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -62.34 -54.13 44.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.32 -41.1 0.3 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.509 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -83.84 -48.16 10.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.69 HD21 HD12 ' A' ' 23' ' ' ILE . 17.5 mt -46.2 -42.97 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.84 -34.77 20.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -77.21 -27.18 53.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.816 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -55.98 120.74 7.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -86.52 121.11 28.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.2 mt -81.64 138.58 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.64 106.78 17.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 89' ' ' PRO . 17.7 m-85 -99.28 41.78 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.2 p -102.16 -50.86 3.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.4 m -125.59 -44.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.633 ' CG ' HD21 ' A' ' 112' ' ' LEU . 20.1 ttm180 -142.1 120.71 7.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.423 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.73 80.99 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.713 2.275 . . . . 0.0 112.367 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.447 ' HB1' ' C ' ' A' ' 111' ' ' TRP . . . -137.09 168.56 19.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.447 HG22 ' CE2' ' A' ' 93' ' ' PHE . 13.3 mt -86.84 131.42 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.5 t -95.35 138.61 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.508 ' CE1' HD13 ' A' ' 44' ' ' LEU . 91.0 m-85 -129.11 176.52 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.428 ' C ' HG13 ' A' ' 95' ' ' ILE . 41.0 mtt-85 -162.74 141.0 8.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.428 HG13 ' C ' ' A' ' 94' ' ' ARG . 26.7 mt -142.02 143.11 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.7 t -150.12 172.66 14.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.702 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -103.6 164.17 11.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.5 ' HG3' ' CZ ' ' A' ' 103' ' ' TYR . 1.4 ttpm? -132.27 112.8 12.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 100' ' ' GLU . 65.4 t30 -131.62 176.38 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 99' ' ' ASN . 51.1 mt-10 -33.83 -46.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.66 -56.64 15.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.01 -87.93 0.15 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.5 ' CZ ' ' HG3' ' A' ' 98' ' ' LYS . 10.3 m-85 -150.69 122.86 8.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.917 0.389 . . . . 0.0 110.933 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -93.43 -149.02 24.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.509 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 157.64 59.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -126.16 132.68 51.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.4 m -82.22 136.46 35.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -101.41 155.47 18.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 14.5 tt -157.1 133.87 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -100.07 129.56 46.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.447 ' C ' ' HB1' ' A' ' 90' ' ' ALA . 19.1 t90 -121.41 109.78 15.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.633 HD21 ' CG ' ' A' ' 88' ' ' ARG . 27.0 mt -65.76 130.12 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 179.89 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.149 0 CA-C-O 120.775 0.24 . . . . 0.0 112.364 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.22 159.74 4.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.429 ' HB1' ' OG1' ' A' ' 107' ' ' THR . . . -76.27 137.43 68.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.529 0.681 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 145.09 56.45 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -137.5 171.9 13.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 13' ' ' THR . 15.9 m 66.44 40.87 3.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.637 HG13 ' O ' ' A' ' 26' ' ' SER . 94.5 t -81.24 114.39 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -102.64 146.34 28.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.0 mt -132.75 146.19 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.4 m -153.25 135.3 14.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -64.92 132.54 49.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -108.98 169.26 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -73.47 -39.1 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -100.86 25.98 7.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.15 -139.6 10.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.693 ' CD1' HD11 ' A' ' 78' ' ' LEU . 43.6 mt -121.33 140.59 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 111.172 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -101.06 110.74 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.79 119.82 39.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.637 ' O ' HG13 ' A' ' 14' ' ' VAL . 59.9 p -121.16 155.34 34.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.5 p90 -159.63 166.2 31.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -122.66 153.05 62.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 166.03 28.93 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 144.87 55.3 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.689 2.259 . . . . 0.0 112.313 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.939 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.4 mm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.829 0.347 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' ' 100' ' ' GLU . 35.8 mt -50.65 170.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -43.29 155.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -90.8 169.07 11.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -141.9 134.61 28.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.41 131.4 53.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -122.01 162.18 21.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.927 HD21 ' HB2' ' A' ' 81' ' ' ALA . 18.2 tp -147.83 134.09 19.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.9 142.39 58.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.795 HG21 ' HG2' ' A' ' 61' ' ' MET . 0.0 OUTLIER -134.16 172.59 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' ILE . 5.7 ttt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.432 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.83 0.348 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.3 t -84.64 108.98 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.432 ' CE1' ' HB2' ' A' ' 58' ' ' LEU . 8.4 m-85 -89.54 116.82 27.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.795 ' HG2' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -88.27 139.77 30.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -53.06 123.21 11.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.499 HG13 ' N ' ' A' ' 64' ' ' TYR . 42.9 pt -106.28 -35.94 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.499 ' N ' HG13 ' A' ' 63' ' ' ILE . 62.6 t80 -128.57 138.48 52.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.1 p -127.41 117.23 21.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.13 -158.61 26.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.713 ' H ' HD23 ' A' ' 67' ' ' LEU . 2.5 pt? -121.12 -41.24 2.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.894 0.378 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.446 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -38.33 143.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.2 p -80.63 39.72 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -176.13 157.84 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.488 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 25.8 p -158.28 171.92 19.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.9 m -122.92 136.53 54.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.8 t -108.79 136.28 45.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.8 p -93.89 144.5 25.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -44.76 -53.41 7.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.097 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.04 -44.96 0.55 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.503 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -75.11 -45.16 43.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.693 HD11 ' CD1' ' A' ' 23' ' ' ILE . 12.9 mt -43.47 -36.64 2.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.74 -41.31 73.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -75.51 -25.62 57.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.927 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -54.71 129.45 36.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -70.85 137.28 49.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.2 mm -104.77 99.73 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -74.16 98.68 3.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' SER . 28.9 m-85 -82.43 19.54 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.7 p -59.98 75.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.148 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' TYR . 74.1 m 56.42 25.02 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.407 ' CG ' HD21 ' A' ' 112' ' ' LEU . 55.4 ttm-85 -179.54 104.99 0.18 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.496 ' O ' HD23 ' A' ' 112' ' ' LEU . 53.6 Cg_endo -69.81 93.56 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.28 . . . . 0.0 112.34 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.33 170.86 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.8 mt -100.91 136.76 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.71 142.34 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.611 ' CE1' HD13 ' A' ' 44' ' ' LEU . 60.2 m-85 -137.17 167.94 20.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.436 ' C ' HG13 ' A' ' 95' ' ' ILE . 16.1 mtm180 -152.28 139.62 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.436 HG13 ' C ' ' A' ' 94' ' ' ARG . 47.8 mt -145.06 139.95 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.4 t -150.07 165.95 31.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.43 165.27 13.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 103' ' ' TYR . 19.8 tttm -126.56 118.55 25.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 8' ' ' PRO . 45.1 m-20 -95.72 17.45 14.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.655 ' HB2' HD11 ' A' ' 38' ' ' LEU . 10.2 tt0 70.71 28.21 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -134.38 -43.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 103' ' ' TYR . . . 163.73 106.88 0.2 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 98' ' ' LYS . 14.1 m-85 -33.63 126.76 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.913 0.387 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -88.35 -139.43 6.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 145.47 57.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.721 2.281 . . . . 0.0 112.286 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.44 122.66 47.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.429 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 25.2 m -75.01 144.55 43.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -114.08 160.48 18.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.407 ' C ' ' HD3' ' A' ' 110' ' ' ARG . 15.6 tt -159.55 148.73 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.448 ' HD3' ' N ' ' A' ' 110' ' ' ARG . 0.9 OUTLIER -117.78 111.38 19.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 30.5 t90 -102.28 105.41 16.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 89' ' ' PRO . 19.9 mt -51.09 166.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.895 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.465 ' HB2' ' HB3' ' A' ' 97' ' ' ALA . 54.1 Cg_endo . . . . . 0 N--CA 1.466 -0.126 0 CA-C-O 120.829 0.262 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.09 155.81 1.66 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.414 ' HB1' ' OG1' ' A' ' 107' ' ' THR . . . -83.91 147.26 50.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.719 . . . . 0.0 111.071 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.5 ' HG3' HG22 ' A' ' 95' ' ' ILE . 53.4 Cg_endo -69.79 133.04 24.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 m -118.18 162.16 18.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 13' ' ' THR . 17.7 m 70.27 40.91 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.503 HG22 ' HB2' ' A' ' 27' ' ' TRP . 63.0 t -74.93 109.68 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -104.96 146.42 29.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.6 mt -129.15 147.45 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -146.12 118.28 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -74.7 124.18 26.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -111.51 172.02 7.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 21' ' ' ASP . 35.6 m -64.27 -43.88 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.484 ' N ' HG23 ' A' ' 20' ' ' VAL . 1.6 m-20 -72.53 -29.79 63.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.43 -168.38 40.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 69.0 mt -81.11 142.38 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.852 0.358 . . . . 0.0 111.158 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -112.04 98.86 7.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 tp -84.44 119.83 25.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -127.07 156.84 41.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.503 ' HB2' HG22 ' A' ' 14' ' ' VAL . 17.0 p90 -168.66 175.08 6.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -111.73 153.84 44.21 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.682 0.753 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.33 21.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 2.244 . . . . 0.0 112.356 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.72 9.4 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.706 2.27 . . . . 0.0 112.329 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.2 mm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.904 0.383 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 mt -73.8 169.93 16.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.438 ' CB ' ' HB3' ' A' ' 67' ' ' LEU . 2.4 pp20? -48.24 177.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -115.74 169.36 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.2 p -144.15 134.96 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.452 ' HB3' ' HB3' ' A' ' 64' ' ' TYR . . . -114.76 130.74 56.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -115.61 153.67 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.852 HD21 ' HB2' ' A' ' 81' ' ' ALA . 14.5 tp -135.55 114.05 11.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.579 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . . . -51.37 124.08 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.696 HG22 ' O ' ' A' ' 80' ' ' ASN . 42.3 pt -123.0 139.57 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.463 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 10.2 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.0 t -81.47 113.0 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.579 ' CD2' ' HB2' ' A' ' 45' ' ' ALA . 9.1 m-85 -98.81 153.93 18.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.661 ' SD ' HD13 ' A' ' 46' ' ' ILE . 11.1 ptt? -128.53 144.55 51.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 62' ' ' ARG . 7.1 tmm_? -65.54 121.74 15.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.439 HG13 ' N ' ' A' ' 64' ' ' TYR . 9.7 pt -112.73 -33.61 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.452 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 11.1 t80 -114.45 133.28 55.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.9 p -119.59 123.94 45.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.63 -168.62 40.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.59 ' N ' HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -133.95 13.93 3.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.917 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -84.26 167.95 16.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.1 p -89.99 -20.41 23.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.5 p -126.28 129.93 49.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.4 p -130.75 169.76 15.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.7 m -124.33 135.45 53.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.4 t -109.39 139.28 32.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 p -95.14 162.8 13.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.096 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -60.38 -46.34 90.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.86 -52.16 1.5 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.448 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.41 ' NE2' ' HB ' ' A' ' 63' ' ' ILE . 45.8 mt-30 -70.56 -42.5 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -51.15 -37.29 45.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.36 -36.25 68.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.696 ' O ' HG22 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -97.0 20.56 11.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.852 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -97.99 118.62 34.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.045 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -72.87 116.2 13.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.0 mt -94.49 121.22 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.943 ' OD1' HG23 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -72.52 98.68 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' SER . 9.8 m-85 -83.02 10.37 8.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 88' ' ' ARG . 60.0 p -52.62 89.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 85' ' ' TYR . 5.9 t 41.74 24.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 86' ' ' THR . 20.3 ttm180 -178.08 105.05 0.21 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.822 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 91.22 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.97 153.95 51.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.404 ' CG2' ' CE2' ' A' ' 93' ' ' PHE . 58.2 mt -96.59 134.2 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.943 HG23 ' OD1' ' A' ' 84' ' ' ASP . 93.6 t -96.72 138.15 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.481 ' HB2' ' CG2' ' A' ' 109' ' ' ILE . 61.1 m-85 -134.35 148.42 50.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -121.52 132.92 54.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.5 HG22 ' HG3' ' A' ' 11' ' ' PRO . 35.3 mt -140.79 142.04 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.0 t -160.15 162.78 34.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -104.74 153.23 21.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.519 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 41.6 tttt -106.08 132.28 52.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -123.41 179.33 4.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -42.81 -41.91 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -80.62 -53.72 6.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.75 -142.46 7.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.519 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 98.3 m-85 -98.12 135.78 39.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.932 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 105' ' ' PRO . . . -96.74 -133.74 7.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 104' ' ' GLY . 54.1 Cg_endo -69.74 142.74 48.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.381 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.19 159.93 16.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.414 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 84.0 m -112.07 137.48 50.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -104.26 118.68 37.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 17.1 tt -115.6 146.77 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.415 ' NH1' ' HD2' ' A' ' 88' ' ' ARG . 56.4 mtm180 -119.71 114.13 21.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.47 ' CZ3' ' CD ' ' A' ' 113' ' ' GLN . 18.8 t90 -105.21 96.94 6.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 mt -51.54 125.69 15.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.47 ' CD ' ' CZ3' ' A' ' 111' ' ' TRP . 4.2 mm100 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.153 0 CA-C-O 120.842 0.267 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.93 171.28 25.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.475 ' HB1' ' OG1' ' A' ' 107' ' ' THR . . . -108.56 151.37 41.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 152.07 69.37 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.641 2.227 . . . . 0.0 112.333 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 m -139.03 168.38 19.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.821 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 13' ' ' THR . 17.2 m 52.15 43.37 30.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.162 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -69.16 113.71 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -108.5 130.56 55.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.49 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 23.9 mt -121.43 129.45 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 m -126.66 174.03 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -89.01 129.45 35.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.437 ' HB3' ' C ' ' A' ' 22' ' ' GLY . 6.8 t-20 -99.41 156.08 17.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.4 t -64.2 -38.09 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -109.78 29.3 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.437 ' C ' ' HB3' ' A' ' 19' ' ' ASN . . . 143.19 -135.88 6.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.432 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.574 HD12 HD21 ' A' ' 78' ' ' LEU . 43.7 mt -113.67 144.51 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -110.24 102.88 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.9 139.49 30.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.1 m -145.25 149.46 34.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -156.27 176.44 12.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -113.57 153.28 45.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.739 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 162.9 40.27 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.315 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 146.59 60.67 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -179.955 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.722 HG21 ' OH ' ' A' ' 40' ' ' TYR . 37.9 mm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.856 0.36 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 67.8 mt -70.62 160.25 32.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.965 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -45.51 150.22 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.722 ' OH ' HG21 ' A' ' 37' ' ' ILE . 30.8 m-85 -94.87 168.13 10.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 m -150.0 132.62 15.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.68 141.43 42.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -119.07 145.0 46.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.048 HD21 ' HB2' ' A' ' 81' ' ' ALA . 30.2 tp -119.65 117.35 28.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.491 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -46.66 134.96 9.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.8 pt -129.6 129.39 66.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 2.7 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.8 t -73.93 107.2 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 58' ' ' LEU . 17.2 m-85 -97.64 129.32 44.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -109.75 140.74 43.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -63.98 119.16 9.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 64' ' ' TYR . 28.5 pt -108.28 -32.37 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.448 ' N ' HG13 ' A' ' 63' ' ' ILE . 1.5 t80 -117.93 132.41 56.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.1 t -125.71 93.58 3.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -166.84 -169.7 30.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.492 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.736 ' H ' HD23 ' A' ' 67' ' ' LEU . 2.1 pt? -108.91 -39.28 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.45 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 13.7 tptm -41.26 140.12 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 50.6 p -85.61 37.67 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 86.1 p -167.49 124.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 20.1 p -131.03 166.45 20.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.0 m -120.44 128.88 53.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.0 t -103.15 130.71 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.0 p -88.51 155.36 19.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.499 ' HA ' HD12 ' A' ' 78' ' ' LEU . . . -53.2 -51.19 62.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.089 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -37.42 -49.59 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -71.03 -43.73 67.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.815 0.341 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.574 HD21 HD12 ' A' ' 23' ' ' ILE . 18.1 mt -45.71 -43.17 12.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.01 -42.04 60.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -74.26 -26.7 60.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 1.048 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -60.1 122.0 13.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -71.47 122.47 20.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 38.8 mm -86.82 107.84 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.33 99.2 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.501 ' O ' ' N ' ' A' ' 87' ' ' SER . 41.6 m-85 -89.21 17.04 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.9 p -59.59 75.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 85' ' ' TYR . 1.2 t 60.19 24.99 14.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 16.7 ttt180 -179.33 105.01 0.19 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.6 Cg_endo -69.78 88.53 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.248 . . . . 0.0 112.317 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.6 170.66 15.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 73.6 mt -103.09 129.44 54.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.5 t -86.9 109.46 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.718 ' CE1' HD13 ' A' ' 44' ' ' LEU . 52.3 m-85 -105.47 164.33 11.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -144.29 127.92 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 21.1 mt -134.24 132.56 55.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.2 t -142.24 163.2 33.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.86 149.65 25.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.42 ' HD3' ' CE2' ' A' ' 103' ' ' TYR . 17.4 tptm -110.01 134.74 51.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 100' ' ' GLU . 12.9 t-20 -126.31 165.4 19.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 99' ' ' ASN . 10.3 tt0 -36.35 -39.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -59.7 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.5 -147.04 10.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.42 ' CE2' ' HD3' ' A' ' 98' ' ' LYS . 54.3 m-85 -93.04 148.01 22.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.951 0.405 . . . . 0.0 110.923 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.418 ' HA3' ' HD2' ' A' ' 105' ' ' PRO . . . -115.49 -129.77 4.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.418 ' HD2' ' HA3' ' A' ' 104' ' ' GLY . 53.6 Cg_endo -69.7 143.91 52.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 0.0 112.372 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -116.75 144.43 44.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.475 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 28.4 m -110.26 143.02 41.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -110.12 150.84 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.9 tt -151.4 132.59 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -101.66 98.11 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.49 ' CD1' ' HB ' ' A' ' 16' ' ' ILE . 33.0 t90 -81.79 99.33 8.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.36 129.97 44.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.9 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD3' ' ND2' ' A' ' 99' ' ' ASN . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.836 0.265 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.49 174.7 7.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.423 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.17 148.11 33.91 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.565 0.698 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 112.19 3.0 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.6 m -95.3 153.49 17.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 m 75.02 41.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -71.26 111.44 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -101.74 144.42 30.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.5 mt -128.88 122.59 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.5 m -122.85 135.22 54.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -73.11 122.32 21.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -106.96 159.42 16.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 21' ' ' ASP . 7.1 p -58.76 -41.77 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.424 ' N ' HG13 ' A' ' 20' ' ' VAL . 35.4 m-20 -72.15 -28.8 63.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.92 -114.54 0.54 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.523 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.798 ' CD1' HD11 ' A' ' 78' ' ' LEU . 51.1 mt -119.12 137.62 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -105.59 99.53 9.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.725 HD21 HD11 ' A' ' 95' ' ' ILE . 1.1 tp -87.2 125.34 34.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.0 p -131.9 145.71 51.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 17.6 p90 -155.6 167.24 31.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -115.49 148.71 41.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.661 0.743 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 164.73 33.53 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.268 . . . . 0.0 112.307 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.95 64.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.6 mm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.863 0.364 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.685 HD12 ' HG2' ' A' ' 98' ' ' LYS . 69.3 mt -56.83 179.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -52.69 -174.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.408 ' O ' ' O ' ' A' ' 66' ' ' GLY . 13.0 m-85 -124.0 169.6 11.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 t -150.78 119.8 6.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -98.23 145.67 26.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.47 ' HB3' ' CB ' ' A' ' 60' ' ' PHE . 12.0 m-85 -128.01 156.41 42.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.858 HD21 ' HB2' ' A' ' 81' ' ' ALA . 28.6 tp -137.57 142.02 41.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.23 117.67 25.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.087 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 47' ' ' ARG . 30.4 pt -106.87 -36.79 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.446 ' N ' HG13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.858 0.361 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.532 ' O ' HG13 ' A' ' 59' ' ' VAL . 6.3 p -98.48 109.01 23.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.578 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 10.3 m-85 -103.65 124.52 48.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -94.07 135.4 35.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 62' ' ' ARG . 5.5 tmm_? -55.46 122.74 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.476 HG13 ' N ' ' A' ' 64' ' ' TYR . 42.5 pt -113.68 -37.86 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.509 ' CD1' ' HB2' ' A' ' 71' ' ' CYS . 32.4 t80 -115.7 133.15 56.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 9.3 t -114.9 90.32 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.471 ' HA3' ' CZ ' ' A' ' 64' ' ' TYR . . . -155.03 179.6 30.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.513 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.831 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.7 pt? -124.23 -26.45 3.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.926 0.393 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.74 150.97 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.3 p -79.3 41.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.0 p -175.89 127.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.509 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 16.5 p -134.82 162.42 32.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.9 m -125.63 136.68 53.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.0 t -111.61 144.62 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.3 p -94.13 162.46 13.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.52 -49.94 75.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.22 -54.02 2.1 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -63.52 -49.58 72.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.798 HD11 ' CD1' ' A' ' 23' ' ' ILE . 13.2 mt -44.13 -45.96 8.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.35 -43.6 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -72.93 -22.5 60.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.858 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -59.23 132.07 52.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.478 ' O ' ' CG ' ' A' ' 82' ' ' HIS . 3.9 p-80 -85.67 123.79 31.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 80.4 mt -97.74 120.64 47.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -83.1 101.95 11.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' A' ' 87' ' ' SER . 19.1 m-85 -82.97 18.95 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.6 m -56.82 79.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 85' ' ' TYR . 2.6 t 50.1 25.05 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.608 ' HG2' HD21 ' A' ' 112' ' ' LEU . 6.5 ttm180 -178.7 105.0 0.2 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.729 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.7 Cg_endo -69.73 96.97 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.724 2.283 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.732 ' HB2' HD23 ' A' ' 112' ' ' LEU . . . -142.33 153.21 43.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 70.9 mt -99.82 133.88 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 45.0 t -93.96 140.52 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -132.24 167.8 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.578 ' HG3' ' CD1' ' A' ' 60' ' ' PHE . 9.4 mmt180 -142.67 135.98 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.725 HD11 HD21 ' A' ' 25' ' ' LEU . 46.2 mt -145.3 140.52 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.4 p -151.71 176.69 11.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.401 ' C ' ' CD2' ' A' ' 103' ' ' TYR . . . -134.34 148.95 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.685 ' HG2' HD12 ' A' ' 38' ' ' LEU . 14.4 ttpp -113.32 131.66 55.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.416 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 28.6 m-20 -97.5 -68.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -134.83 -58.62 0.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -73.12 -54.87 7.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.458 ' HA2' ' CD ' ' A' ' 98' ' ' LYS . . . -176.66 -146.45 6.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 98' ' ' LYS . 47.4 m-85 -103.04 155.77 18.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.14 -106.54 2.52 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.16 17.13 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.442 ' HB3' ' NH1' ' A' ' 94' ' ' ARG . . . -104.79 121.54 43.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.5 151.31 38.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -129.54 136.13 49.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 18.3 tt -137.58 136.76 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -104.56 103.82 13.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -88.12 95.71 10.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.732 HD23 ' HB2' ' A' ' 90' ' ' ALA . 31.9 mt -62.32 133.86 55.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.898 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.149 0 CA-C-O 120.851 0.271 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.25 143.07 22.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.46 153.97 81.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.537 0.684 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 143.54 51.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.237 . . . . 0.0 112.336 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.5 m -132.66 154.93 49.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m 72.0 45.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.91 129.75 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -120.0 153.99 35.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.8 mt -135.07 121.02 31.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.3 m -122.82 129.58 51.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -67.46 135.2 52.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -112.0 151.27 29.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.7 m -54.86 -32.29 26.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -83.77 -28.04 28.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.69 -106.14 0.22 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.647 ' O ' HG23 ' A' ' 72' ' ' THR . 63.2 mt -129.86 140.14 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 111.099 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -114.2 97.16 6.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tp -81.82 132.36 35.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -139.63 159.21 42.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 41.0 p90 -165.34 167.08 18.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -105.37 155.53 37.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.652 0.739 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 159.83 51.97 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 31' ' ' THR . 53.6 Cg_endo -69.74 94.39 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.646 2.23 . . . . 0.0 112.376 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' PRO . 9.3 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.575 HG21 ' CE1' ' A' ' 40' ' ' TYR . 4.9 mp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.896 0.379 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' ILE . 41.8 mt -37.17 -45.83 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -161.77 159.8 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.575 ' CE1' HG21 ' A' ' 37' ' ' ILE . 5.8 m-85 -102.84 169.04 8.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.7 p -147.31 127.8 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.09 126.08 52.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -111.63 138.13 48.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.952 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.753 ' O ' HG23 ' A' ' 46' ' ' ILE . 18.9 tp -116.03 106.77 14.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.73 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . . . -44.84 125.96 5.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.865 HD13 ' H ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -131.23 172.21 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.3 mmm-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.847 0.356 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.0 p -105.27 131.42 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.73 ' CD2' ' HB2' ' A' ' 45' ' ' ALA . 3.5 m-85 -120.75 130.8 54.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.734 ' HG2' HD12 ' A' ' 46' ' ' ILE . 7.4 ptt? -107.37 158.21 17.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -76.32 121.93 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.494 HG21 ' HB3' ' A' ' 44' ' ' LEU . 40.1 pt -109.31 -33.79 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.478 ' N ' HG13 ' A' ' 63' ' ' ILE . 8.7 t80 -133.83 138.66 45.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.1 t -128.77 96.35 4.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.01 138.83 5.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.665 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.1 pt? -54.98 -37.9 67.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 110.933 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 8.5 ttmm -41.0 142.88 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 79.4 p -93.89 37.69 1.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.6 p -165.24 124.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.6 p -134.08 166.56 22.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 23' ' ' ILE . 86.8 m -121.86 141.0 51.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.414 HG12 ' HG ' ' A' ' 78' ' ' LEU . 90.8 t -110.69 138.93 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.2 p -95.59 172.14 8.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -67.8 -58.9 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.51 -42.61 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -78.98 -42.47 26.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.601 HD11 HD12 ' A' ' 23' ' ' ILE . 16.1 mt -50.65 -48.26 58.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.68 43.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -71.2 -23.38 62.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.47 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -62.65 129.39 40.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -77.4 92.75 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 76.6 mt -74.16 119.5 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.91 94.64 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 87' ' ' SER . 11.1 m-85 -76.6 7.07 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.0 m -47.86 87.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 85' ' ' TYR . 23.3 m 43.37 25.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.406 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 6.8 mtt180 -178.03 106.21 0.21 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.596 0.713 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.4 Cg_endo -69.76 97.8 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.48 ' HB1' ' HG2' ' A' ' 110' ' ' ARG . . . -142.36 157.6 44.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 13.4 mt -105.2 133.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.436 ' CG1' ' CD ' ' A' ' 108' ' ' GLN . 74.1 t -97.43 122.26 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.437 ' CE1' HD13 ' A' ' 44' ' ' LEU . 51.1 m-85 -105.36 164.81 11.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.592 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 3.0 mmm180 -148.66 115.76 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.4 mt -128.54 146.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.1 t -148.65 170.75 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.419 ' HB1' HG12 ' A' ' 37' ' ' ILE . . . -110.0 139.08 45.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 38.1 tttt -103.8 137.41 41.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 100' ' ' GLU . 22.1 p-10 -132.02 173.05 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 99' ' ' ASN . 31.0 mt-10 -36.82 -43.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -64.55 -64.95 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 172.41 -93.05 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.43 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 39.8 m-85 -144.7 137.67 26.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.921 0.391 . . . . 0.0 110.946 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -111.84 -128.17 5.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.96 46.66 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.336 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.98 162.94 15.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 96.8 m -121.76 137.77 54.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.436 ' CD ' ' CG1' ' A' ' 92' ' ' VAL . 2.1 tt0 -116.89 148.28 41.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.4 tt -151.8 133.25 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.48 ' HG2' ' HB1' ' A' ' 90' ' ' ALA . 14.1 ttp180 -93.25 141.46 28.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -123.06 105.57 10.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.9 mt -76.77 105.58 7.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.923 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 m -82.64 68.34 9.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.6 p -134.1 153.73 51.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.57 -84.12 1.15 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 6' ' ' SER . 13.2 t -79.08 -71.65 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 5' ' ' SER . 55.7 m -37.36 110.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.48 -173.32 47.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.45 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 133.12 24.83 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.321 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.02 154.79 1.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.7 149.57 96.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 146.25 59.36 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.26 . . . . 0.0 112.346 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.6 m -120.28 168.99 10.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 59.63 49.82 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.789 HG22 ' HB2' ' A' ' 27' ' ' TRP . 95.4 t -96.87 111.89 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -121.71 159.12 27.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.678 HG12 HD12 ' A' ' 25' ' ' LEU . 58.9 mt -128.13 117.78 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.8 m -111.88 148.97 32.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -72.16 131.99 43.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -105.26 169.5 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 20' ' ' VAL . 46.9 t -82.63 -12.66 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -125.17 10.17 8.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.89 -123.73 1.49 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.55 HD12 HD21 ' A' ' 78' ' ' LEU . 65.6 mt -123.8 139.42 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 111.166 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -107.23 99.62 9.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.678 HD12 HG12 ' A' ' 16' ' ' ILE . 2.2 tp -86.23 123.43 31.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.5 p -132.07 147.62 52.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.789 ' HB2' HG22 ' A' ' 14' ' ' VAL . 48.3 p90 -155.45 -178.78 7.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -128.32 153.66 78.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 163.81 36.86 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.698 2.266 . . . . 0.0 112.365 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 148.54 65.4 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.351 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 t -62.1 -39.98 94.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.18 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.2 m -76.48 143.23 72.03 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.661 0.743 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -26.87 27.14 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.0 t 43.42 32.25 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.83 -114.31 4.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -102.76 111.04 23.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.2 mm -85.32 108.6 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.6 mt -78.66 171.06 15.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -45.74 156.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -96.75 166.52 11.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.6 t -148.56 136.15 20.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -116.44 130.1 56.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 3.2 m-85 -112.99 158.05 20.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.635 HD13 ' CE1' ' A' ' 93' ' ' PHE . 14.6 tp -138.27 127.73 24.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.61 137.08 44.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.541 HD13 ' HG2' ' A' ' 61' ' ' MET . 7.6 pt -135.53 170.93 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -147.3 123.13 10.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 49' ' ' ALA . 12.8 t -76.15 -44.71 36.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.506 ' N ' HG23 ' A' ' 48' ' ' THR . . . -149.27 172.55 14.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -51.79 117.2 2.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.08 152.78 5.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.38 -49.76 3.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -86.67 161.07 18.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -42.43 143.09 1.16 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 87.64 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.652 2.235 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 98.1 p -126.77 -60.08 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -81.11 146.76 30.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.457 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -130.16 160.68 33.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.1 t -119.5 104.45 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.53 ' CD1' ' NH2' ' A' ' 94' ' ' ARG . 16.3 m-85 -92.21 128.46 38.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.541 ' HG2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -116.91 133.97 55.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -50.59 128.81 21.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.0 pt -117.43 -30.61 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -128.06 126.62 41.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.6 t -119.38 106.68 12.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.0 -167.26 35.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.446 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.871 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.8 pt? -111.66 -27.39 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.37 . . . . 0.0 110.936 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.74 145.49 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.2 p -93.04 38.55 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.5 p -171.73 126.95 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 11.4 p -129.83 167.74 17.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.2 m -124.93 135.66 53.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.0 t -111.23 118.5 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.7 p -77.63 155.54 31.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 78' ' ' LEU . . . -49.53 -61.02 2.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.56 -37.73 0.57 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -74.2 -41.54 61.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.359 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.55 HD21 HD12 ' A' ' 23' ' ' ILE . 9.5 mt -57.4 -34.11 68.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.77 -13.26 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.082 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.34 -22.16 16.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.501 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -62.69 133.8 55.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -96.08 105.16 17.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.6 mt -81.79 135.67 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -82.82 109.95 17.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -97.66 34.09 1.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.9 m -84.18 -60.04 2.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -113.78 -49.7 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.8 mtt85 -144.12 132.5 10.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.631 0.729 . . . . 0.0 110.822 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 95.77 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.314 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.88 154.05 49.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.3 mt -88.59 129.52 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.9 t -96.55 116.87 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.635 ' CE1' HD13 ' A' ' 44' ' ' LEU . 40.6 m-85 -110.93 147.21 35.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.825 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.821 ' HG2' ' HB1' ' A' ' 106' ' ' ALA . 5.5 ttm180 -124.3 136.16 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.556 HD11 HD21 ' A' ' 25' ' ' LEU . 28.2 mt -142.58 147.02 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.183 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.1 t -156.52 177.67 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -126.89 134.03 50.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.531 ' HB2' ' CE2' ' A' ' 103' ' ' TYR . 27.8 tttt -83.58 135.82 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.48 -58.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -132.89 -65.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -123.86 -10.35 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -140.11 -178.31 16.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.531 ' CE2' ' HB2' ' A' ' 98' ' ' LYS . 12.6 m-85 -113.23 165.06 12.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 0.0 110.891 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -86.3 -152.7 21.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.445 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 124.82 11.43 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.821 ' HB1' ' HG2' ' A' ' 94' ' ' ARG . . . -81.72 149.05 28.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.9 m -104.51 133.12 49.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -98.15 113.42 25.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.416 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 15.6 tt -112.39 149.82 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -120.26 117.2 27.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 15.0 t90 -100.62 111.92 24.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 113' ' ' GLN . 16.8 mt -83.57 115.9 22.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 112' ' ' LEU . 25.1 mt-30 -35.91 -60.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.63 179.88 18.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -118.85 -44.58 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.4 t -90.58 164.52 14.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -143.98 147.47 33.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.0 m -69.07 -49.04 60.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -177.64 -166.28 34.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 153.01 69.52 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.713 2.275 . . . . 0.0 112.356 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.4 m -141.83 163.03 34.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.0 t -97.61 130.67 44.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 t -111.87 141.19 45.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 110.847 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.9 p -93.51 112.62 24.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.8 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.65 83.54 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -145.91 151.69 38.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 m -68.74 82.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.65 -168.4 38.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -8.62 24.06 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.324 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.92 154.49 25.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.552 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.16 151.15 39.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.56 0.695 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HG3' HG22 ' A' ' 95' ' ' ILE . 53.4 Cg_endo -69.79 159.84 51.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.287 . . . . 0.0 112.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -138.61 168.52 19.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m 55.17 47.77 20.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.3 t -76.26 111.04 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -106.71 152.17 24.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.568 HG12 HD12 ' A' ' 25' ' ' LEU . 56.3 mt -135.01 122.68 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -117.6 147.89 42.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -70.9 131.88 44.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -104.73 146.62 28.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.6 m -61.29 -20.76 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -114.54 2.28 14.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.26 -121.0 0.99 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.567 HD12 HD21 ' A' ' 78' ' ' LEU . 15.0 mt -130.86 138.05 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -108.64 99.75 9.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.568 HD12 HG12 ' A' ' 16' ' ' ILE . 1.8 tp -80.09 136.8 36.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -138.45 162.12 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 32.8 p90 -167.92 -176.7 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -127.05 155.62 75.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 152.07 69.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.314 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 107.34 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.629 ' O ' HG23 ' A' ' 31' ' ' THR . 9.1 t -71.03 70.49 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.5 m -142.14 158.6 61.15 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.685 0.755 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' SER . 53.3 Cg_endo -69.77 3.08 2.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' PRO . 77.5 p -34.3 140.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' SER . . . -35.02 -91.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.469 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.94 173.52 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.9 mm -134.34 95.55 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.6 mt -56.27 -68.17 0.23 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -148.05 170.71 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -108.63 162.79 13.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -150.13 120.4 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.99 145.02 30.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 1.5 m-85 -130.84 157.88 41.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 81' ' ' ALA . 33.3 tp -127.02 118.88 25.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.65 125.15 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.448 HG23 ' O ' ' A' ' 44' ' ' LEU . 11.1 pt -131.5 161.22 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.49 152.09 46.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 48' ' ' THR . 9.9 t -160.47 116.89 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 61.18 34.01 19.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -105.93 83.27 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -107.39 110.21 22.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 53.74 46.06 26.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -97.44 160.28 14.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -63.84 144.24 98.03 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.644 0.735 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 115.7 4.22 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 57' ' ' GLN . 7.5 t -134.5 151.51 51.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 56' ' ' SER . 32.1 tt0 -34.62 96.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' SER . 5.9 mt -34.22 135.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.1 t -86.93 137.82 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.536 ' CE2' ' HG3' ' A' ' 94' ' ' ARG . 10.6 m-85 -114.28 153.06 30.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.402 ' O ' HG23 ' A' ' 63' ' ' ILE . 15.6 ptt? -126.51 138.29 53.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -60.06 119.59 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 61' ' ' MET . 36.5 pt -115.88 -14.8 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -149.84 132.28 15.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 38.1 t -123.74 96.97 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.26 -162.77 12.35 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.588 ' N ' HD23 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -124.02 -19.01 5.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.917 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 70' ' ' SER . 7.2 tmtm? -53.72 147.06 12.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.452 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 66.6 p -83.86 27.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.473 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 3.8 p -168.0 131.85 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 18.7 p -129.81 168.01 17.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.7 m -118.03 138.05 52.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -115.2 132.95 62.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.6 p -90.49 161.51 15.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.487 ' HA ' HD12 ' A' ' 78' ' ' LEU . . . -63.46 -46.97 83.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -43.1 -39.29 3.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -79.9 -38.09 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.923 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.567 HD21 HD12 ' A' ' 23' ' ' ILE . 63.2 mt -54.48 -35.86 63.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.6 -29.94 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.087 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -85.44 -15.62 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.694 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -59.33 128.47 37.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -75.04 125.14 28.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 16.2 mm -98.97 126.63 52.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 88' ' ' ARG . 16.6 t70 -98.96 94.94 6.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 86' ' ' THR . 20.0 m-85 -81.59 -30.01 33.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 85' ' ' TYR . 95.5 m -36.82 -64.3 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 m -92.06 -67.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.698 ' HD3' HD21 ' A' ' 112' ' ' LEU . 7.3 ttm105 -148.64 133.45 9.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 92.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.41 160.67 39.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.593 HD12 ' HE3' ' A' ' 111' ' ' TRP . 78.3 mt -86.84 127.41 40.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.5 t -87.44 103.84 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.45 ' HB2' ' CG2' ' A' ' 109' ' ' ILE . 6.6 m-85 -100.55 133.84 44.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.536 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -118.24 134.15 55.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.431 HG22 ' HG3' ' A' ' 11' ' ' PRO . 19.2 mt -138.44 138.14 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.3 t -151.96 172.27 16.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.45 150.83 34.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.06 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 103' ' ' TYR . 3.5 ttpm? -112.22 121.06 43.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 100' ' ' GLU . 13.9 p-10 -120.94 173.76 7.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 99' ' ' ASN . 17.0 mt-10 -35.06 -39.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -77.92 -59.61 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 158.92 -128.37 2.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.44 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 98' ' ' LYS . 71.6 m-85 -114.74 127.16 55.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.971 0.415 . . . . 0.0 110.906 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.36 -95.93 1.94 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 136.33 32.86 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.324 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.4 ' CB ' ' HE ' ' A' ' 94' ' ' ARG . . . -127.01 165.84 18.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.0 m -127.39 123.49 36.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -104.68 116.33 31.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.45 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 10.7 tt -116.89 158.37 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -125.12 120.39 31.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.593 ' HE3' HD12 ' A' ' 91' ' ' ILE . 14.2 t90 -101.74 126.63 48.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.698 HD21 ' HD3' ' A' ' 88' ' ' ARG . 33.4 mt -81.72 97.04 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.408 ' OE1' ' N ' ' A' ' 115' ' ' ASN . 1.8 pp0? -102.14 150.21 23.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -63.04 -74.15 0.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.408 ' N ' ' OE1' ' A' ' 113' ' ' GLN . 16.7 p-10 -170.99 129.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.2 t -83.18 93.57 7.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.45 100.79 4.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 97.9 p -168.68 139.88 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -109.98 159.27 14.02 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.417 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 165.57 30.59 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.665 2.244 . . . . 0.0 112.366 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.1 p -123.87 36.38 4.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.1 p -150.71 124.58 9.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.507 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -106.14 87.1 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.82 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -53.0 175.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.54 53.86 2.96 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -61.23 89.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.876 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -157.31 133.23 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.838 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.99 -162.56 35.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.452 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -179.74 3.1 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.647 2.231 . . . . 0.0 112.355 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.77 170.86 31.15 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.82 154.36 47.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.576 0.703 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 141.59 45.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.2 m -117.87 162.02 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 13' ' ' THR . 11.4 m 55.51 47.65 20.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -81.19 114.9 22.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.0 mtm-85 -112.05 146.44 37.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.442 HD12 ' HB2' ' A' ' 111' ' ' TRP . 22.1 mt -122.9 109.23 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 t -108.75 123.03 48.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -67.38 136.32 54.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -106.44 171.56 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.4 t -74.4 -37.42 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -93.4 -20.95 19.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.33 -128.57 1.08 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.506 HD12 HD21 ' A' ' 78' ' ' LEU . 60.7 mt -127.96 153.33 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 111.104 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.427 ' N ' HG22 ' A' ' 23' ' ' ILE . 16.3 t-80 -118.12 97.97 6.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.831 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tp -87.39 117.01 25.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.1 p -123.38 155.19 37.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.2 p90 -159.89 177.07 11.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -124.16 154.19 68.41 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.63 0.728 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 169.99 17.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 116.7 4.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.458 HG23 ' N ' ' A' ' 32' ' ' SER . 7.3 t -51.23 -44.39 61.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.458 ' N ' HG23 ' A' ' 31' ' ' THR . 39.3 t -79.56 143.06 58.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 110.827 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 119.12 6.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.328 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.1 p -95.59 -49.98 5.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.57 -104.31 0.22 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -122.84 88.97 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.776 0.322 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.478 HG21 ' CE1' ' A' ' 40' ' ' TYR . 50.1 mm -64.76 98.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 9.9 mt -67.64 -59.05 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 38' ' ' LEU . 22.9 mt-10 -162.78 171.37 16.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.478 ' CE1' HG21 ' A' ' 37' ' ' ILE . 38.0 m-85 -115.36 168.3 10.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -152.72 129.0 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.616 ' HB3' ' HB3' ' A' ' 64' ' ' TYR . . . -96.03 158.7 15.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -144.92 157.58 44.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' A' ' 81' ' ' ALA . 3.9 tp -147.62 121.41 9.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.699 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -57.05 128.82 38.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.7 pt -122.26 149.51 25.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' N ' ' HB2' ' A' ' 82' ' ' HIS . 15.7 ttt85 -75.59 149.53 38.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.1 p -149.72 124.07 9.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.27 140.92 25.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -127.54 168.03 15.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 83.6 mmm -131.26 -62.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -68.99 -177.74 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.52 105.87 18.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -118.96 143.78 34.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.625 0.726 . . . . 0.0 110.851 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 174.54 9.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.5 t -45.18 96.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -129.69 141.25 50.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.0 mt -133.0 136.28 45.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.4 p -106.64 135.43 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.699 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 16.7 m-85 -121.57 143.1 49.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.2 ptt? -130.06 143.21 50.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -67.58 117.59 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.466 HD12 HG22 ' A' ' 73' ' ' VAL . 45.7 pt -103.57 -24.73 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.616 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 34.7 t80 -130.03 132.86 46.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.3 p -125.65 111.92 15.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.82 171.53 39.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.678 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.3 pt? -88.02 -24.39 23.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.02 141.05 29.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.9 p -87.74 40.07 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.184 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 m -167.1 145.97 5.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 27.1 p -148.77 167.33 25.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.1 m -121.14 138.02 54.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.466 HG22 HD12 ' A' ' 63' ' ' ILE . 56.0 t -120.91 111.74 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.3 p -76.99 168.86 19.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.55 76.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.082 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -42.78 -49.78 6.02 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -69.28 -47.25 65.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.506 HD21 HD12 ' A' ' 23' ' ' ILE . 16.8 mt -47.6 -47.97 28.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.28 -42.9 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.106 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -72.16 -22.44 61.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.804 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -59.55 134.57 57.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.442 ' HB2' ' N ' ' A' ' 47' ' ' ARG . 12.3 t-80 -86.44 133.27 33.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.446 HG21 ' CZ ' ' A' ' 85' ' ' TYR . 46.7 mm -106.73 120.67 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.442 ' CG ' HG22 ' A' ' 86' ' ' THR . 20.5 t0 -74.15 104.87 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.446 ' CZ ' HG21 ' A' ' 83' ' ' ILE . 61.1 m-85 -104.68 42.57 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.442 HG22 ' CG ' ' A' ' 84' ' ' ASP . 10.5 t -113.28 -33.71 5.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.4 m -125.2 -41.75 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -165.7 130.95 1.9 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 90.51 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.71 167.13 22.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.548 HD12 ' HE3' ' A' ' 111' ' ' TRP . 62.1 mt -92.16 124.77 44.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.5 t -94.9 110.06 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.418 ' CE2' HG21 ' A' ' 91' ' ' ILE . 12.9 m-85 -103.38 175.13 5.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -160.24 119.88 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.5 mt -125.21 147.37 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -163.22 161.71 25.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.24 158.33 17.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 14.8 ttpt -119.2 123.93 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -125.28 -177.25 3.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 -40.31 -45.96 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -66.73 -62.77 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.54 -137.37 4.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 41.2 m-85 -101.99 120.12 39.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.949 0.404 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.66 -155.76 5.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.432 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 146.09 59.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -110.69 132.94 53.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.6 m -83.58 127.12 33.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -98.69 114.04 26.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.411 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 13.3 tt -111.72 155.98 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 51.3 mtt85 -124.84 101.92 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.548 ' HE3' HD12 ' A' ' 91' ' ' ILE . 20.1 t90 -88.59 111.61 22.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 mt -76.06 130.19 37.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -121.75 -179.14 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.58 -146.87 20.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -109.18 114.76 28.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 59.8 p -112.56 108.72 17.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -148.38 136.07 20.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.4 t -72.4 124.22 24.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -83.29 -94.0 0.61 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 162.48 41.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.382 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.9 t -162.38 130.06 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.9 p -53.24 155.51 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.444 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -69.33 119.01 12.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.825 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -124.63 103.54 8.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.85 -171.81 34.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 p -145.58 131.95 19.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -154.97 112.91 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.99 159.79 31.98 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.68 16.79 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.34 162.07 13.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.78 144.1 29.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 133.38 25.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -122.94 158.13 31.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m 69.16 47.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.86 121.36 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -114.62 144.75 42.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.4 mt -130.27 125.93 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.7 m -116.22 149.93 38.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -91.57 122.25 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -116.59 154.55 30.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -53.5 -40.98 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -71.0 -20.93 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.72 -124.39 1.48 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.501 HD12 HD21 ' A' ' 78' ' ' LEU . 14.8 mt -118.21 143.62 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 111.114 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -115.02 107.69 15.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.535 HD21 HD11 ' A' ' 95' ' ' ILE . 2.8 tp -84.3 124.16 30.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -128.8 163.25 25.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.417 ' CE2' ' HA ' ' A' ' 69' ' ' THR . 31.7 p90 -171.67 178.17 3.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -123.33 155.18 65.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.654 0.74 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.41 67.05 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 138.3 37.4 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.1 t -90.46 41.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.4 m -123.88 141.45 36.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.679 0.752 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 86.45 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.246 . . . . 0.0 112.301 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.5 p -80.23 -38.35 31.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.45 -73.01 0.34 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -154.18 112.81 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.813 HG21 ' CZ ' ' A' ' 40' ' ' TYR . 29.8 mt -95.01 109.5 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.1 mt -57.6 -57.65 11.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -163.66 164.5 23.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.813 ' CZ ' HG21 ' A' ' 37' ' ' ILE . 5.0 m-85 -111.44 168.91 9.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.8 p -164.97 148.1 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -106.97 165.26 11.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -144.35 147.33 33.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.846 HD21 ' HB2' ' A' ' 81' ' ' ALA . 4.0 tp -136.67 118.97 15.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.488 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -57.39 125.97 25.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.058 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.9 pt -114.01 -178.07 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -80.18 168.27 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.3 p -139.29 146.51 40.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.98 141.33 56.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -54.85 -69.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 31.1 tpp -51.9 101.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -153.97 174.63 14.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -108.19 -71.9 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -38.35 158.25 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.631 0.729 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.449 ' C ' ' OE1' ' A' ' 57' ' ' GLN . 54.2 Cg_endo -69.76 176.32 6.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.258 . . . . 0.0 112.35 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.444 ' C ' ' OE1' ' A' ' 57' ' ' GLN . 5.7 t -73.04 91.24 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 59' ' ' VAL . 6.3 mp0 -123.85 103.54 8.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.431 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 10.6 mt -43.2 92.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 57' ' ' GLN . 7.0 p -79.15 132.69 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 15.0 m-85 -104.36 160.51 14.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.521 ' CE ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -143.87 132.92 22.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 62' ' ' ARG . 17.6 ttp-105 -51.95 136.14 29.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.521 HG22 ' CE ' ' A' ' 61' ' ' MET . 13.8 pt -123.96 -14.63 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -143.03 144.59 32.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.8 p -125.49 127.02 45.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.63 172.15 24.46 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.527 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.39 14.19 30.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -82.59 150.86 26.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.417 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 80.8 p -93.81 27.0 2.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.3 p -162.19 125.7 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 12.8 p -129.86 167.79 17.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.4 m -116.43 145.13 43.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.2 t -126.42 113.0 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.7 p -81.97 155.06 25.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.86 -53.21 34.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.61 -34.07 0.24 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -81.58 -50.66 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.501 HD21 HD12 ' A' ' 23' ' ' ILE . 13.9 mt -43.48 -30.73 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.57 -42.83 71.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 81' ' ' ALA . 27.2 p30 -73.54 -23.69 60.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.846 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -61.09 137.13 58.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -86.94 131.5 34.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.594 HG21 ' CZ ' ' A' ' 85' ' ' TYR . 47.2 mm -104.43 123.33 58.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.827 ' OD1' HG23 ' A' ' 86' ' ' THR . 43.5 t0 -86.21 122.15 29.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.594 ' CZ ' HG21 ' A' ' 83' ' ' ILE . 45.2 m-85 -118.58 28.67 8.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.827 HG23 ' OD1' ' A' ' 84' ' ' ASP . 29.5 p -80.2 -51.01 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 t -117.73 -56.1 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -140.4 133.96 15.11 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 92.6 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -139.39 168.13 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 68.4 mt -101.92 137.56 29.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.7 t -103.6 113.63 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -103.57 176.76 5.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.549 ' HG2' ' HB1' ' A' ' 106' ' ' ALA . 17.3 ttt85 -159.87 126.3 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.535 HD11 HD21 ' A' ' 25' ' ' LEU . 16.1 mt -130.71 148.93 33.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -164.32 154.05 14.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.04 132.95 52.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.048 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.444 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 28.9 tttm -94.34 119.4 33.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -109.86 -175.96 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.17 -30.34 16.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.9 mmtm -80.8 -56.62 4.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.44 -137.66 4.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 36.7 m-85 -104.55 120.87 42.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.39 . . . . 0.0 110.949 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -82.81 -149.44 8.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 128.6 16.23 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.549 ' HB1' ' HG2' ' A' ' 94' ' ' ARG . . . -96.82 130.02 44.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 99.6 m -86.57 135.2 33.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -103.52 139.13 39.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 19.6 tt -139.29 129.47 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -99.09 104.08 16.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -87.41 113.74 23.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.0 mt -73.51 125.42 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -70.78 141.03 51.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 145.67 118.26 1.15 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -150.28 176.48 10.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.339 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 59.5 m -115.12 123.97 50.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -73.42 119.31 17.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -132.25 109.16 9.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 68.89 78.26 0.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.523 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 154.8 67.2 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 98.9 p -158.67 156.78 30.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.4 m -97.27 110.06 22.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.545 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.1 p -114.17 178.37 4.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.36 . . . . 0.0 110.882 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -75.81 132.04 40.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.98 -159.19 29.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.4 p -97.32 160.18 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 110.879 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -124.45 -43.29 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.74 -157.89 27.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -3.8 12.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.23 . . . . 0.0 112.384 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.11 159.78 35.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 105' ' ' PRO . . . -113.73 151.14 44.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.603 0.716 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 149.87 67.6 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 m -136.35 168.57 19.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 13' ' ' THR . 11.6 m 53.16 50.35 17.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.457 HG22 ' CB ' ' A' ' 27' ' ' TRP . 77.2 t -80.01 133.22 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -123.29 144.75 49.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.7 mt -129.05 121.06 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -124.35 132.71 53.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -67.8 132.72 47.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -108.96 168.74 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.68 -38.24 44.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -100.52 18.07 20.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.94 -147.17 18.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.628 HD12 HD21 ' A' ' 78' ' ' LEU . 63.5 mt -113.21 139.05 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 111.092 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -103.44 97.8 7.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.504 HD23 ' HZ3' ' A' ' 27' ' ' TRP . 2.6 tp -87.82 117.29 26.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.4 p -124.04 155.48 38.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.504 ' HZ3' HD23 ' A' ' 25' ' ' LEU . 34.5 p90 -160.9 163.39 31.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -99.86 151.25 37.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.635 0.731 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 152.44 68.96 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.653 2.235 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 115.39 4.08 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.71 2.274 . . . . 0.0 112.346 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.7 t -87.58 40.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 p -106.18 152.8 40.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.692 0.758 . . . . 0.0 110.842 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' SER . 54.3 Cg_endo -69.77 2.99 3.04 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.655 2.236 . . . . 0.0 112.367 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' PRO . 62.1 m -34.32 -44.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.49 -124.91 3.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -103.75 166.75 10.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.337 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.786 HG21 ' CE1' ' A' ' 40' ' ' TYR . 13.0 mm -125.91 115.11 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.7 mt -64.65 -65.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -150.3 175.31 11.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.786 ' CE1' HG21 ' A' ' 37' ' ' ILE . 31.2 m-85 -124.73 165.96 17.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.9 m -163.91 157.8 19.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -133.03 143.15 49.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -119.94 137.44 54.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.942 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.719 ' CB ' HG21 ' A' ' 63' ' ' ILE . 51.9 tp -101.92 130.7 48.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -67.37 99.44 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.497 HG21 ' CE ' ' A' ' 61' ' ' MET . 12.7 pt -107.92 174.4 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.19 144.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.835 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 t -117.64 127.32 53.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.43 116.75 24.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -133.68 50.66 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 72.23 26.54 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -69.52 105.44 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -72.74 -20.19 61.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -134.9 143.1 44.8 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 171.62 14.14 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.739 2.293 . . . . 0.0 112.337 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 57' ' ' GLN . 22.2 p -156.01 154.04 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 56' ' ' SER . 36.5 mt-30 -34.89 101.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.9 mt -38.79 135.07 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.1 p -97.7 147.73 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.539 ' CD2' ' HG3' ' A' ' 94' ' ' ARG . 13.7 m-85 -122.81 159.46 28.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.497 ' CE ' HG21 ' A' ' 46' ' ' ILE . 7.1 ptt? -150.28 143.51 24.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -58.81 131.35 50.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.719 HG21 ' CB ' ' A' ' 44' ' ' LEU . 11.0 pt -123.76 -2.2 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -156.52 133.76 10.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.8 m -125.74 106.28 9.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.46 -165.67 26.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.516 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.62 10.2 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.857 0.361 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -78.62 171.81 14.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.1 p -102.34 0.64 34.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.7 m -153.47 127.93 9.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 15.5 p -127.59 166.52 17.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.1 m -114.16 134.69 54.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.6 t -105.2 140.5 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.6 p -96.18 153.28 17.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.585 ' HA ' HD12 ' A' ' 78' ' ' LEU . . . -57.97 -46.71 84.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -41.85 -42.54 3.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -78.08 -41.9 33.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.628 HD21 HD12 ' A' ' 23' ' ' ILE . 21.1 mt -49.92 -40.49 43.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.22 -36.89 6.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -78.28 -25.13 46.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.477 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -58.28 108.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -75.14 125.58 29.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.2 mt -92.82 125.85 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -75.57 95.18 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 89' ' ' PRO . 39.0 m-85 -91.83 30.63 1.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.4 m -86.87 -64.93 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -100.88 -45.18 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.401 ' CD ' HD21 ' A' ' 112' ' ' LEU . 15.6 ttm180 -151.96 135.71 9.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.423 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.76 91.98 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.89 165.39 27.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 66.7 mt -100.57 129.35 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -92.3 117.82 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.487 ' HB2' ' CG2' ' A' ' 109' ' ' ILE . 16.5 m-85 -105.87 173.82 6.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.539 ' HG3' ' CD2' ' A' ' 60' ' ' PHE . 12.0 mmm-85 -147.18 127.89 14.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.435 HG13 ' C ' ' A' ' 94' ' ' ARG . 18.5 mt -142.62 139.97 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.8 t -164.04 164.58 22.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.827 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.17 142.73 32.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 62.9 tttt -100.3 126.33 46.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -103.14 175.83 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -41.01 -33.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -89.1 -51.67 5.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 163.88 -158.39 30.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 96.4 m-85 -79.21 144.85 34.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.379 . . . . 0.0 110.941 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -123.29 -98.22 1.34 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.491 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . 54.4 Cg_endo -69.73 125.05 11.71 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.405 ' HB1' ' HE ' ' A' ' 94' ' ' ARG . . . -111.8 138.68 48.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.4 m -107.88 138.1 44.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -110.53 132.51 54.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.487 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 13.6 tt -131.25 154.56 40.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -120.49 134.9 55.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -113.73 114.63 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.401 HD21 ' CD ' ' A' ' 88' ' ' ARG . 55.9 mt -81.99 103.64 11.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -68.24 122.7 18.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 115' ' ' ASN . . . -163.88 -40.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 114' ' ' GLY . 15.6 t-20 -35.49 -40.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 77.4 p -133.33 -176.15 4.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 118' ' ' SER . 17.0 ttmm -155.6 126.28 6.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 117' ' ' LYS . 57.2 m -35.79 126.65 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -51.47 145.92 12.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 112.5 3.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.2 p -166.97 143.15 4.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.3 m -65.12 144.04 57.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 m -71.45 168.95 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 p -124.03 -54.57 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.58 -98.18 0.21 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.443 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m 62.5 41.55 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -101.79 94.9 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.2 -158.72 10.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 138.91 39.16 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.76 -179.56 2.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.48 143.98 27.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HG3' HG22 ' A' ' 95' ' ' ILE . 53.5 Cg_endo -69.74 133.75 26.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.0 t -117.54 172.81 7.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.3 m 63.9 48.3 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.8 t -80.07 109.95 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -106.08 133.78 50.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.6 mt -121.0 121.45 65.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.9 m -125.47 143.28 51.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -68.5 133.11 48.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -113.01 150.36 32.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.05 -27.53 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -94.85 -14.82 24.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.1 -108.49 0.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.47 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.649 HD12 HD21 ' A' ' 78' ' ' LEU . 61.3 mt -129.71 133.59 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 0.0 111.149 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -103.06 98.79 8.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.696 HD23 ' HZ3' ' A' ' 27' ' ' TRP . 1.9 tp -86.17 137.85 32.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 m -153.02 142.59 21.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.696 ' HZ3' HD23 ' A' ' 25' ' ' LEU . 48.2 p90 -149.18 172.71 14.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -111.21 150.1 41.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 160.61 49.07 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.396 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 132.56 23.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.725 2.283 . . . . 0.0 112.286 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 t -86.4 4.91 37.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -88.95 149.76 44.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.695 0.759 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 106.33 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.644 2.229 . . . . 0.0 112.363 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.8 p -122.3 -36.96 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.72 -123.74 4.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.448 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -113.37 113.79 25.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mm -85.94 97.71 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.7 mt -38.49 -72.29 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -144.51 -175.45 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -120.92 167.54 12.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -156.7 133.27 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -114.67 143.38 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -128.59 159.1 36.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.788 HD21 ' HB2' ' A' ' 81' ' ' ALA . 16.1 tp -142.2 120.37 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.55 126.14 18.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.412 ' CG2' ' HG2' ' A' ' 61' ' ' MET . 14.0 pt -112.64 -176.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -61.87 173.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.1 t -136.55 140.04 42.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.69 146.87 9.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -76.42 141.02 41.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -160.16 121.7 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -42.95 109.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.9 t0 64.08 53.51 1.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -73.23 134.04 80.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.681 0.753 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 160.15 50.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.26 . . . . 0.0 112.367 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 61.1 m -61.19 99.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -130.44 150.23 51.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.1 mt -136.8 119.19 15.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.0 t -94.76 120.42 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.558 ' CD2' ' HD2' ' A' ' 94' ' ' ARG . 77.3 m-85 -107.13 124.59 49.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.412 ' HG2' ' CG2' ' A' ' 46' ' ' ILE . 4.0 ptt? -120.01 145.07 47.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -65.87 129.64 40.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.682 HD12 HG22 ' A' ' 73' ' ' VAL . 27.8 pt -111.73 -30.31 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -125.04 137.23 54.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.2 p -124.32 124.37 42.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.22 -163.66 36.98 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.37 11.18 8.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.485 ' HD3' ' N ' ' A' ' 69' ' ' THR . 7.6 tmtm? -100.79 153.07 19.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.485 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 70.4 p -82.44 20.99 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 p -124.18 133.05 53.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -127.57 160.74 30.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.512 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 25.8 m -130.36 133.47 46.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.682 HG22 HD12 ' A' ' 63' ' ' ILE . 25.4 t -127.15 116.87 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.8 p -85.21 170.98 12.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.47 -60.69 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -40.39 -44.53 3.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -68.86 -44.65 72.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.854 0.359 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.649 HD21 HD12 ' A' ' 23' ' ' ILE . 20.0 mt -51.24 -41.8 60.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.41 -39.34 32.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -73.24 -21.51 60.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.788 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -58.9 116.15 3.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -72.81 120.58 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 76.9 mt -103.07 140.22 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 84' ' ' ASP . 4.0 t0 -97.57 95.04 7.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 86' ' ' THR . 37.2 m-85 -76.2 -32.18 58.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 85' ' ' TYR . 83.2 m -36.15 -62.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.2 p -89.81 -68.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.488 ' NE ' HD21 ' A' ' 112' ' ' LEU . 31.0 ttp180 -150.19 139.35 13.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.642 0.734 . . . . 0.0 110.831 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 88' ' ' ARG . 52.9 Cg_endo -69.81 92.7 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.265 . . . . 0.0 112.3 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.8 152.39 49.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.593 HG21 ' CZ ' ' A' ' 93' ' ' PHE . 79.8 mt -86.53 116.23 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.05 104.23 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.732 ' CE1' HD13 ' A' ' 44' ' ' LEU . 47.3 m-85 -98.46 174.99 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.558 ' HD2' ' CD2' ' A' ' 60' ' ' PHE . 16.7 mtt180 -150.88 130.06 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.565 HG22 ' HG3' ' A' ' 11' ' ' PRO . 20.0 mt -133.13 135.14 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.2 t -156.11 165.71 35.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.29 138.38 52.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.143 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 55.6 tttt -101.77 117.23 34.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -109.38 172.36 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -38.85 -36.17 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -77.03 -61.42 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 174.65 -166.0 37.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.503 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 15.9 m-85 -76.73 131.59 38.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.943 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -82.3 -158.2 22.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 132.26 23.04 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.262 . . . . 0.0 112.361 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -92.66 122.59 35.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 52.3 m -78.96 131.54 36.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -97.36 121.2 38.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 14.8 tt -126.4 133.12 69.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -108.95 114.98 29.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.506 ' HE3' HD12 ' A' ' 91' ' ' ILE . 24.6 t90 -103.58 102.82 12.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.488 HD21 ' NE ' ' A' ' 88' ' ' ARG . 24.0 mt -57.03 111.59 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -66.65 112.3 4.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -178.92 133.72 2.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -114.83 109.71 18.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.37 . . . . 0.0 110.905 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.5 m -76.95 -44.67 30.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -132.53 135.74 46.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.9 t -41.45 -44.49 2.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 158.28 147.34 4.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 110.6 2.61 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.2 m -75.84 168.24 20.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.3 m -87.45 93.5 9.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -125.21 155.54 39.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -140.32 108.79 5.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.76 165.46 34.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.9 p -113.42 40.42 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.894 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 m -115.61 94.23 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.58 177.09 6.29 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -7.39 20.96 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.07 139.29 5.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.484 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -73.73 157.5 87.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 0.0 111.053 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.484 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 54.5 Cg_endo -69.7 150.62 68.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 t -117.76 169.17 9.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m 49.62 51.67 16.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.16 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.498 HG22 ' CB ' ' A' ' 27' ' ' TRP . 90.2 t -91.09 108.86 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -122.27 155.61 35.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.595 HG12 HD12 ' A' ' 25' ' ' LEU . 77.0 mt -122.07 121.16 63.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.6 t -111.66 143.8 41.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -80.39 115.68 20.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -92.77 162.59 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 m -69.9 -15.4 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -101.16 -23.98 14.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.67 -103.32 0.19 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.477 ' CD1' HD11 ' A' ' 78' ' ' LEU . 62.8 mt -129.55 144.59 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 111.169 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -118.67 98.97 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.595 HD12 HG12 ' A' ' 16' ' ' ILE . 1.5 tp -86.16 120.04 27.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 m -130.47 155.6 46.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.498 ' CB ' HG22 ' A' ' 14' ' ' VAL . 49.4 p90 -158.46 -179.26 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -128.16 153.39 78.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.667 0.746 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 146.57 60.23 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.25 . . . . 0.0 112.352 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 118.08 5.47 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.709 2.272 . . . . 0.0 112.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.9 t -67.03 -4.82 10.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 p -67.75 143.13 96.41 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 81.92 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.1 p -84.08 -46.97 11.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.45 -69.39 0.25 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -118.87 110.57 17.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.3 mm -97.86 109.73 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.3 mt -91.65 169.23 10.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -43.45 155.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -98.87 164.47 12.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 t -151.16 121.35 7.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.803 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -100.03 146.7 26.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 3.9 m-85 -132.3 163.55 28.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.971 HD13 ' CE1' ' A' ' 93' ' ' PHE . 49.0 tp -137.67 131.33 31.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.93 117.95 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.633 HD13 ' HG2' ' A' ' 61' ' ' MET . 8.5 pt -126.99 -175.61 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 48' ' ' THR . 3.0 tmt_? -111.28 88.69 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 48' ' ' THR . 8.8 t -34.49 123.16 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.89 169.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.32 89.7 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.6 mtp -100.94 -50.23 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -141.9 170.52 15.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -73.77 73.9 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -151.22 149.65 25.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.644 0.735 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.419 ' OG ' HG22 ' A' ' 48' ' ' THR . 3.3 m -119.46 136.49 54.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' LEU . 22.1 mt-30 -121.18 69.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' GLN . 20.5 mt 37.39 46.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.99 117.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -90.99 141.27 29.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.633 ' HG2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -125.32 141.55 52.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -54.26 136.67 42.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.455 HD12 HG22 ' A' ' 73' ' ' VAL . 22.0 pt -126.63 -11.17 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.449 ' CD2' ' HB2' ' A' ' 71' ' ' CYS . 3.3 t80 -155.29 139.26 16.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.0 p -125.92 114.0 17.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.04 161.52 25.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.744 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.1 pt? -85.09 -8.42 58.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -68.04 148.59 50.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.9 p -89.52 36.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -165.9 156.31 12.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.449 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 18.2 p -155.79 171.98 19.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.8 m -122.98 130.79 53.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.455 HG22 HD12 ' A' ' 63' ' ' ILE . 86.4 t -115.51 106.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.6 p -71.06 172.21 9.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.68 -48.15 82.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -43.2 -45.95 6.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.409 ' OE1' HG13 ' A' ' 73' ' ' VAL . 73.3 mt-30 -65.18 -40.81 94.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' A' ' 23' ' ' ILE . 14.0 mt -58.71 -28.74 66.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.5 -28.19 68.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -92.78 -12.96 29.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.945 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -67.18 128.91 38.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -86.94 137.98 31.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 98.2 mt -109.83 136.62 45.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -87.06 100.13 12.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.43 ' CE1' ' HB3' ' A' ' 89' ' ' PRO . 33.8 m-85 -99.12 35.34 1.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.8 p -94.72 -52.21 4.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.3 m -119.09 -45.32 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.504 ' CD ' HD21 ' A' ' 112' ' ' LEU . 16.4 ttm180 -148.95 128.38 6.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.43 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.75 91.21 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.242 . . . . 0.0 112.381 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.615 ' HB2' HD23 ' A' ' 112' ' ' LEU . . . -141.69 146.92 36.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.7 mt -86.27 134.88 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.9 t -102.21 142.01 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.971 ' CE1' HD13 ' A' ' 44' ' ' LEU . 30.0 m-85 -132.17 170.81 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.53 ' HE ' ' HB1' ' A' ' 106' ' ' ALA . 0.5 OUTLIER -145.41 141.26 28.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.494 HD11 HD21 ' A' ' 25' ' ' LEU . 47.7 mt -146.9 126.67 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.0 173.42 14.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.57 ' C ' ' CD2' ' A' ' 103' ' ' TYR . . . -125.35 149.12 48.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 103' ' ' TYR . 18.4 ttmt -86.59 137.26 32.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 99' ' ' ASN . 18.7 t-20 -88.64 -74.55 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -129.15 -49.71 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.45 -29.28 5.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -150.02 -173.36 20.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.57 ' CD2' ' C ' ' A' ' 97' ' ' ALA . 1.8 m-85 -98.38 177.27 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.936 0.398 . . . . 0.0 110.897 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -115.45 -119.32 3.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 127.2 14.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.638 2.225 . . . . 0.0 112.335 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.53 ' HB1' ' HE ' ' A' ' 94' ' ' ARG . . . -99.98 123.72 44.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.084 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.48 151.42 39.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -129.91 111.44 12.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.9 tt -112.79 153.86 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -122.46 112.68 18.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -97.73 84.79 3.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.615 HD23 ' HB2' ' A' ' 90' ' ' ALA . 18.9 mt -59.41 97.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.86 137.95 44.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 155.76 49.04 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -119.56 126.54 51.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.5 t -85.45 108.65 17.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -129.22 101.29 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.6 t -121.85 96.21 4.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -124.44 -167.76 12.73 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.54 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 88.05 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.6 t -140.16 132.29 28.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.4 m -161.83 146.79 13.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -144.09 179.7 7.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -101.62 -57.58 2.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.02 -77.07 0.11 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 t -162.92 141.61 8.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 m -113.1 113.93 26.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.19 173.04 23.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.525 ' HB2' ' HB3' ' A' ' 97' ' ' ALA . 53.5 Cg_endo -69.76 170.73 15.89 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.669 2.246 . . . . 0.0 112.367 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.22 134.77 12.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.39 150.31 82.39 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.582 0.706 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.506 ' HB3' ' CD1' ' A' ' 27' ' ' TRP . 53.8 Cg_endo -69.71 128.12 15.62 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.362 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.9 t -110.37 170.56 8.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 m 56.44 48.19 17.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.601 HG22 ' CB ' ' A' ' 27' ' ' TRP . 99.1 t -80.02 120.46 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -121.81 142.59 50.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.654 HD12 ' HB2' ' A' ' 111' ' ' TRP . 7.8 mt -118.65 119.79 62.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 t -113.35 138.15 50.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -77.04 116.71 17.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -101.03 157.18 16.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -61.7 -25.66 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -90.39 -18.36 25.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.97 -111.89 0.5 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.779 HD12 HD21 ' A' ' 78' ' ' LEU . 64.8 mt -129.66 133.76 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 111.124 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -108.46 99.87 9.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.716 HD21 HD11 ' A' ' 95' ' ' ILE . 2.0 tp -79.04 131.55 36.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.0 m -141.2 149.56 41.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.601 ' CB ' HG22 ' A' ' 14' ' ' VAL . 47.5 p90 -155.58 169.74 23.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -110.7 148.23 38.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 157.08 61.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 151.84 69.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.32 -42.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.485 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -70.77 -60.77 2.81 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.68 0.752 . . . . 0.0 110.852 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 32' ' ' SER . 53.7 Cg_endo -69.8 -166.11 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' PRO . 1.4 t -35.13 142.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -102.87 -38.54 2.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.441 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -73.69 118.6 16.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.709 HG21 ' CZ ' ' A' ' 40' ' ' TYR . 5.3 mm -129.53 93.82 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.4 mt -44.21 -60.34 1.95 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -150.71 174.18 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.709 ' CZ ' HG21 ' A' ' 37' ' ' ILE . 90.0 m-85 -123.86 165.47 17.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -157.94 139.39 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.533 ' C ' ' CD1' ' A' ' 43' ' ' TYR . . . -112.45 156.76 22.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.07 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.533 ' CD1' ' C ' ' A' ' 42' ' ' ALA . 1.6 m-85 -143.94 151.81 40.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.966 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.013 HD13 ' CE1' ' A' ' 93' ' ' PHE . 13.5 tp -128.99 130.31 46.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.631 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -64.47 135.31 55.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.11 178.09 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -107.91 127.44 53.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.8 p -133.39 157.94 44.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.18 107.81 18.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -163.87 131.2 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.6 ttm -69.45 149.27 48.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -160.18 177.55 10.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -127.62 38.82 3.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -114.42 151.35 45.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.644 0.735 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -46.22 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.694 2.263 . . . . 0.0 112.37 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 t -152.87 110.1 3.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -127.96 150.53 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.5 mt -139.12 109.47 6.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 59' ' ' VAL . 7.4 p -80.79 119.68 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.631 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 52.8 m-85 -104.99 115.18 29.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -94.25 137.97 32.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -63.05 135.86 57.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.3 pt -125.53 -4.26 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -149.33 133.6 17.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.4 p -125.86 109.58 12.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.06 -178.61 48.84 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.71 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.2 pt? -105.55 -8.26 18.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.93 0.395 . . . . 0.0 110.915 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -68.27 147.22 52.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.7 p -94.28 36.23 1.15 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.8 p -163.78 125.24 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.5 p -133.04 171.15 14.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.0 m -124.96 130.79 53.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.8 t -104.39 117.65 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 64.9 p -77.1 164.54 25.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.67 98.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.63 -36.79 25.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -80.3 -38.88 29.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.779 HD21 HD12 ' A' ' 23' ' ' ILE . 37.6 mt -56.02 -39.42 71.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.63 -38.16 59.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -80.65 -15.73 55.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.658 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -61.11 114.4 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.064 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -78.65 119.29 21.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.7 mt -90.89 128.67 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -73.37 113.53 10.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -107.46 31.49 5.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.7 t -102.35 -28.6 12.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.193 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 m -132.59 -48.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.8 mtm-85 -152.52 127.92 4.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.582 0.706 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 81.77 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.67 2.247 . . . . 0.0 112.319 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.412 ' HB1' ' C ' ' A' ' 111' ' ' TRP . . . -136.95 166.24 24.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.0 mt -86.13 120.34 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 97.8 t -92.89 124.58 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 1.013 ' CE1' HD13 ' A' ' 44' ' ' LEU . 36.8 m-85 -114.9 166.05 12.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.409 ' CG ' ' CE2' ' A' ' 60' ' ' PHE . 21.1 mmt180 -142.43 119.77 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.716 HD11 HD21 ' A' ' 25' ' ' LEU . 16.4 mt -128.61 144.45 37.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.1 t -156.14 174.21 15.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.527 ' HB1' HG23 ' A' ' 37' ' ' ILE . . . -111.79 158.8 18.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.545 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 19.8 tttp -111.05 132.45 54.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 100' ' ' GLU . 39.7 m-20 -122.59 166.12 15.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' ASN . 22.5 tt0 -36.44 -38.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 102' ' ' GLY . 1.0 OUTLIER -85.22 -52.66 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.4 ' N ' ' HG3' ' A' ' 101' ' ' LYS . . . 161.95 -159.57 31.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.545 ' CE1' ' HG3' ' A' ' 98' ' ' LYS . 88.0 m-85 -85.11 158.03 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.944 0.402 . . . . 0.0 110.955 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -143.17 -95.06 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.422 ' CG ' ' O ' ' A' ' 8' ' ' PRO . 54.5 Cg_endo -69.68 125.4 12.14 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.68 2.253 . . . . 0.0 112.39 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.07 158.35 21.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.13 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.1 m -118.45 132.74 56.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -113.12 130.56 56.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.41 ' CG1' ' N ' ' A' ' 110' ' ' ARG . 16.0 tt -121.16 162.86 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.41 ' N ' ' CG1' ' A' ' 109' ' ' ILE . 52.2 mtt180 -129.9 104.74 7.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.654 ' HB2' HD12 ' A' ' 16' ' ' ILE . 8.8 t90 -101.2 104.4 15.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.0 123.11 22.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -50.35 137.31 18.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -97.13 99.94 2.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -58.4 100.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 79.7 p -167.32 142.96 4.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -92.89 104.13 16.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.7 p -46.54 -38.63 9.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 75.67 165.39 17.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.504 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 167.1 25.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.281 . . . . 0.0 112.329 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 99.4 p -133.33 23.41 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.3 m -161.02 134.47 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.458 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 m -122.64 144.35 49.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t -131.92 148.71 52.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.38 78.07 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -138.91 139.88 38.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.828 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 m 50.08 42.02 24.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.76 -157.47 14.08 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.53 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -179.24 2.76 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.692 2.261 . . . . 0.0 112.332 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.57 -167.38 39.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.456 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.443 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -103.04 155.88 36.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.443 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 53.5 Cg_endo -69.74 124.22 10.88 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.32 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -110.13 159.97 16.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 m 63.89 44.83 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.4 t -83.37 105.59 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -106.6 150.14 26.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.7 mt -132.1 134.26 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -135.02 124.22 24.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -68.98 126.06 28.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -107.87 164.85 11.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.0 t -61.65 -41.79 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -71.41 -29.0 64.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.72 -117.83 0.68 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.701 HD12 HD21 ' A' ' 78' ' ' LEU . 65.6 mt -125.59 143.11 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -111.4 114.15 27.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tp -104.78 124.55 49.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.4 p -131.75 146.78 52.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.46 ' NE1' ' HA ' ' A' ' 69' ' ' THR . 49.4 p90 -147.25 -176.24 5.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -147.75 155.03 44.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 157.42 60.47 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -49.54 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.38 159.3 42.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.475 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -72.6 -60.79 1.9 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 110.848 -179.833 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 35' ' ' GLY . 53.4 Cg_endo -69.84 2.9 3.16 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.665 2.243 . . . . 0.0 112.354 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 33' ' ' PRO . 55.7 p -34.17 -34.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . 133.49 -145.21 17.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -107.65 87.93 2.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.348 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 38' ' ' LEU . 83.3 mt -79.28 88.41 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 37' ' ' ILE . 84.6 mt -34.36 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -146.48 156.79 43.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -97.61 169.04 9.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.2 t -143.29 136.07 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.75 110.49 16.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -96.56 152.6 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 81' ' ' ALA . 8.9 tp -134.44 106.4 7.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.673 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -35.98 132.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 44' ' ' LEU . 34.4 pt -126.34 139.18 52.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 48' ' ' THR . 5.1 tmm_? -63.18 139.81 58.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.455 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 9.5 t -61.4 147.8 43.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.61 41.55 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -166.15 152.83 9.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.8 mtp -104.14 121.38 43.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.14 123.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.14 103.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.7 p30 -137.14 151.69 72.29 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.601 0.715 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 172.34 12.83 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.701 2.268 . . . . 0.0 112.38 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m -53.2 101.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -146.08 141.24 27.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.1 mt -132.3 120.93 22.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.2 t -85.34 135.53 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.673 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 44.5 m-85 -116.48 141.38 48.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -128.82 153.29 47.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -76.33 127.05 32.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 64' ' ' TYR . 43.1 pt -111.92 -36.14 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.468 ' N ' HG13 ' A' ' 63' ' ' ILE . 11.9 t80 -125.13 135.25 52.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.4 p -127.93 121.68 30.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 168.25 -170.82 42.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.65 18.18 8.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' SER . 20.9 tptt -77.17 8.38 4.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.46 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 3.4 p 41.61 24.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' LYS . 87.3 p -171.76 144.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 64' ' ' TYR . 15.2 p -150.63 172.01 16.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.8 m -124.75 131.75 53.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.103 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.4 t -107.06 135.73 44.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.0 p -98.15 171.9 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -59.53 -54.33 47.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.057 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.15 -57.07 1.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -66.62 -43.1 85.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.949 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.701 HD21 HD12 ' A' ' 23' ' ' ILE . 13.6 mt -47.48 -44.9 25.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.89 -39.39 18.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -71.71 -26.66 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.67 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -56.45 141.27 43.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 2.5 t60 -93.3 116.18 28.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 86.6 mt -94.01 126.22 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -86.02 120.99 28.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.463 ' CE1' ' HB3' ' A' ' 89' ' ' PRO . 55.5 m-85 -114.09 40.19 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.1 m -87.37 -58.9 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.8 p -113.8 -45.45 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -147.19 132.68 9.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.463 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.81 97.31 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.658 ' HB2' HD23 ' A' ' 112' ' ' LEU . . . -141.9 155.53 45.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.7 mt -88.3 139.25 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.3 t -95.17 140.87 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.503 ' CE1' HD13 ' A' ' 44' ' ' LEU . 48.3 m-85 -139.07 146.84 41.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -131.41 135.89 47.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 32.1 mt -140.9 143.12 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.8 p -152.65 174.96 13.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -127.11 131.37 50.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -111.51 131.96 54.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -102.01 -71.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -130.97 -59.0 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -65.9 -58.95 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -175.48 -156.05 13.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -93.2 146.62 23.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.922 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.09 -133.71 2.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 133.66 26.11 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.704 2.269 . . . . 0.0 112.383 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.93 122.63 43.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 89.3 m -84.98 137.17 33.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -109.86 118.38 36.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.4 tt -119.51 141.46 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -109.57 93.87 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 22.8 t90 -75.71 118.13 18.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.658 HD23 ' HB2' ' A' ' 90' ' ' ALA . 71.2 mt -74.93 121.05 21.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -56.04 119.32 5.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.61 171.69 54.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -126.01 83.49 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.1 p -162.74 145.97 11.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -142.72 106.11 4.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.8 t -134.75 156.8 48.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.4 ' HA2' ' HD2' ' A' ' 120' ' ' PRO . . . 160.04 98.35 0.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.476 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.4 ' HD2' ' HA2' ' A' ' 119' ' ' GLY . 53.6 Cg_endo -69.72 173.48 10.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.8 t -66.2 120.25 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 123' ' ' GLY . 1.5 t -166.32 150.9 7.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 122' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.531 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -89.28 42.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.825 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -71.64 92.42 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.47 -45.37 0.32 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -79.79 44.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -71.29 -45.59 62.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.6 144.86 17.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -3.25 11.66 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.233 . . . . 0.0 112.37 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.55 152.88 0.32 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.88 152.29 50.95 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.592 0.71 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.403 ' HG3' HG22 ' A' ' 95' ' ' ILE . 54.2 Cg_endo -69.76 153.53 68.82 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.0 m -135.83 158.92 43.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 m 70.24 45.06 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.6 t -74.21 130.58 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -132.38 131.44 41.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.8 mt -114.45 132.85 62.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.1 m -123.49 127.55 48.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -67.64 127.07 31.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -111.96 145.24 39.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.7 t -51.45 -40.55 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -72.52 -29.83 63.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.63 -121.41 0.87 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.762 HD12 HD21 ' A' ' 78' ' ' LEU . 79.7 mt -118.4 141.47 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -118.26 102.82 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.718 HD21 HD11 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -87.33 141.56 28.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -150.25 161.54 42.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.477 ' CE2' ' HA ' ' A' ' 69' ' ' THR . 41.5 p90 -170.97 171.57 5.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -117.42 149.98 45.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.602 0.715 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 159.95 51.52 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.663 2.242 . . . . 0.0 112.364 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 159.36 53.67 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.323 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.1 t -81.59 -34.6 30.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 t -39.02 145.39 0.38 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.699 0.761 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 35' ' ' GLY . 53.1 Cg_endo -69.74 8.79 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.301 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -56.05 83.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -89.68 43.46 2.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -131.66 28.46 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.5 mt -86.6 91.49 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.3 mt -52.84 -66.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.426 ' HG3' HD22 ' A' ' 67' ' ' LEU . 24.2 mp0 -148.68 166.78 27.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -103.96 164.77 11.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 t -143.88 149.02 36.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.25 115.87 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -103.03 145.67 29.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.967 HD21 ' HB2' ' A' ' 81' ' ' ALA . 11.1 tp -129.91 115.7 17.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . . . -55.44 135.14 50.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.541 HD12 ' HG2' ' A' ' 61' ' ' MET . 0.2 OUTLIER -121.71 152.04 25.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.408 ' HD2' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -64.34 155.04 33.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.8 t -133.09 147.23 52.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 87.42 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -141.36 159.94 41.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.464 ' HG3' ' N ' ' A' ' 52' ' ' GLN . 21.8 ptm -114.75 -40.75 3.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.464 ' N ' ' HG3' ' A' ' 51' ' ' MET . 34.9 mt-30 -65.68 125.75 26.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 8.9 p-10 -47.62 105.22 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -59.26 147.94 73.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.716 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -167.23 0.21 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.3 m -79.98 45.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -125.24 151.0 46.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.573 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 15.2 mt -146.8 109.85 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.8 t -80.0 136.52 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CE1' ' O ' ' A' ' 58' ' ' LEU . 19.9 m-85 -118.62 140.81 49.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.541 ' HG2' HD12 ' A' ' 46' ' ' ILE . 5.0 ptt? -106.46 145.56 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -73.41 120.32 18.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 64' ' ' TYR . 41.6 pt -107.26 -37.8 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.51 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.7 t80 -130.0 137.72 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.3 t -129.11 106.87 9.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.31 159.26 22.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.479 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.56 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -93.16 21.84 5.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.903 0.382 . . . . 0.0 110.975 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -75.53 7.3 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.477 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 25.4 p 43.78 26.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.1 m -159.31 155.45 26.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.491 ' SG ' ' CD1' ' A' ' 64' ' ' TYR . 68.5 m -144.3 169.86 17.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.6 m -135.91 123.82 22.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.612 HG12 ' HG ' ' A' ' 78' ' ' LEU . 73.7 t -124.21 121.4 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 48.0 p -101.78 175.1 5.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -47.12 -54.46 10.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.69 -62.62 0.79 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -66.87 -45.84 76.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.762 HD21 HD12 ' A' ' 23' ' ' ILE . 23.7 mt -44.83 -45.26 10.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.0 -39.56 20.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -72.44 -28.84 63.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.967 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -71.03 137.01 48.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.557 ' CD2' ' OD1' ' A' ' 84' ' ' ASP . 7.4 p-80 -81.08 146.33 30.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 50.1 mm -108.6 106.45 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.557 ' OD1' ' CD2' ' A' ' 82' ' ' HIS . 7.1 m-20 -74.2 97.65 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 87' ' ' SER . 33.5 m-85 -83.94 20.87 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.964 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.6 m -59.13 78.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 85' ' ' TYR . 1.1 t 53.59 25.04 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.441 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 34.9 ttm180 -178.98 104.99 0.2 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.708 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.4 Cg_endo -69.79 94.79 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 112' ' ' LEU . . . -142.22 173.19 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.3 mt -111.97 133.7 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.8 HG13 ' CD ' ' A' ' 108' ' ' GLN . 57.5 t -90.88 121.08 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.583 ' CE1' HD13 ' A' ' 44' ' ' LEU . 54.6 m-85 -117.67 155.67 29.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.448 ' C ' HG13 ' A' ' 95' ' ' ILE . 9.7 ttt180 -133.16 136.93 46.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.718 HD11 HD21 ' A' ' 25' ' ' LEU . 30.3 mt -143.13 134.08 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.5 t -148.48 165.13 32.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.24 140.07 38.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 39.4 tttp -98.32 130.82 44.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.451 ' ND2' ' HB2' ' A' ' 101' ' ' LYS . 16.0 p-10 -127.37 169.03 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' ASN . 15.6 mt-10 -37.73 -40.03 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.451 ' HB2' ' ND2' ' A' ' 99' ' ' ASN . 0.5 OUTLIER -68.16 -63.12 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 176.96 -97.04 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 25.3 m-85 -141.33 122.46 14.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.391 . . . . 0.0 110.938 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.38 -151.67 3.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 127.53 14.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -89.28 153.82 20.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.067 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.3 m -116.62 135.55 53.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.8 ' CD ' HG13 ' A' ' 92' ' ' VAL . 0.2 OUTLIER -107.21 145.97 31.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.1 tt -145.12 144.4 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.416 HH11 ' NE2' ' A' ' 108' ' ' GLN . 0.8 OUTLIER -106.99 117.14 33.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 26.3 t90 -107.87 98.28 7.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 90' ' ' ALA . 3.8 mt -44.55 126.27 5.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.55 -50.19 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 119.6 124.2 3.21 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 116' ' ' SER . 1.3 p-10 -42.48 -48.05 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.38 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 115' ' ' ASN . 57.5 m -34.96 101.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.61 154.6 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.3 m -106.56 -44.09 4.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 73.65 145.82 0.87 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.542 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -176.69 1.56 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.385 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.5 m -169.4 173.57 6.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.7 t -155.16 149.98 26.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.466 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.2 p -55.78 -33.49 64.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 110.88 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -93.82 82.46 4.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.12 -126.47 8.31 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.431 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 p -109.18 140.15 43.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 p -67.57 80.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.22 162.72 12.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.449 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 53.9 Cg_endo -69.78 121.16 7.85 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -41.2 148.02 0.31 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.5 147.22 87.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.621 0.724 . . . . 0.0 111.081 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 153.72 68.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.2 t -128.33 160.03 33.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 13' ' ' THR . 7.5 m 71.44 44.38 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.149 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.99 108.43 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -107.27 142.67 36.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.678 HG12 HD12 ' A' ' 25' ' ' LEU . 79.1 mt -125.93 143.33 39.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.5 m -150.26 119.11 6.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -66.42 131.13 45.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -113.59 169.09 9.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.5 m -62.68 -29.87 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.18 -28.59 29.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.24 -113.53 0.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.59 HD11 HD11 ' A' ' 78' ' ' LEU . 54.9 mt -122.15 139.84 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.113 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -112.73 96.98 6.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.678 HD12 HG12 ' A' ' 16' ' ' ILE . 1.7 tp -89.33 151.03 22.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.7 t -154.28 162.65 41.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 43.5 p90 -167.94 163.27 13.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -106.22 147.94 35.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.648 0.737 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 153.09 69.38 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.736 2.29 . . . . 0.0 112.326 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 98.49 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.709 2.272 . . . . 0.0 112.365 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 32' ' ' SER . 10.3 t -43.02 -43.77 4.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.469 ' N ' HG23 ' A' ' 31' ' ' THR . 59.1 p -50.77 138.16 23.87 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.705 0.764 . . . . 0.0 110.842 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 87.4 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t -97.96 41.71 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.34 -141.01 45.51 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -100.74 112.83 25.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 38' ' ' LEU . 50.2 mm -70.83 91.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 37' ' ' ILE . 76.2 mt -34.12 -56.27 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -169.52 176.47 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -111.83 167.96 9.95 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -158.05 145.76 18.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.58 131.23 52.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -115.45 146.36 41.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.764 HD13 ' CE1' ' A' ' 93' ' ' PHE . 37.0 tp -122.81 110.23 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.854 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -48.77 124.04 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.036 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.59 HG23 ' O ' ' A' ' 44' ' ' LEU . 46.7 pt -123.84 139.54 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.491 ' N ' ' HB2' ' A' ' 82' ' ' HIS . 12.2 ptm180 -72.15 166.35 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.479 ' O ' HG23 ' A' ' 48' ' ' THR . 10.1 t -174.42 120.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.65 102.96 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -160.91 130.14 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -40.47 128.89 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -79.33 95.45 5.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -59.64 -54.52 45.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -146.14 143.69 19.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.652 0.739 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 175.85 7.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.242 . . . . 0.0 112.338 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.2 t 60.99 40.73 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -149.69 148.63 29.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.4 mt -148.19 171.92 15.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.3 t -119.97 98.82 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.854 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 19.8 m-85 -94.12 157.61 16.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -142.59 144.21 32.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -65.25 121.52 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 64' ' ' TYR . 32.6 pt -106.41 -35.48 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.469 ' N ' HG13 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -125.15 147.5 49.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.5 p -129.02 123.42 32.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.16 176.42 40.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.426 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -106.25 15.32 26.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.919 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -79.27 160.73 26.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.3 p -103.39 12.99 34.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.8 m -161.87 123.75 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 23.5 p -124.38 172.26 9.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.6 m -122.91 127.32 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.193 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 91.5 t -102.1 136.38 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.5 p -95.0 166.16 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -63.48 -52.02 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.78 -42.28 0.49 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -76.48 -45.08 32.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.59 HD11 HD11 ' A' ' 23' ' ' ILE . 13.9 mt -43.42 -44.09 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.76 -43.48 48.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -72.61 -26.42 61.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.521 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -59.35 144.82 45.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.491 ' HB2' ' N ' ' A' ' 47' ' ' ARG . 10.9 t60 -84.9 145.08 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.1 mm -113.47 100.08 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -74.64 98.27 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.55 ' O ' ' N ' ' A' ' 87' ' ' SER . 32.6 m-85 -83.19 18.98 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 66.0 m -56.24 77.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 85' ' ' TYR . 16.4 m 53.21 25.0 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.961 ' HG2' HD21 ' A' ' 112' ' ' LEU . 22.2 ttt180 -178.31 105.01 0.21 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.613 0.721 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.8 Cg_endo -69.74 96.03 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.638 2.225 . . . . 0.0 112.347 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.598 ' HB2' HD23 ' A' ' 112' ' ' LEU . . . -141.13 168.42 19.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 71.0 mt -103.84 132.47 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.639 HG12 ' HE2' ' A' ' 60' ' ' PHE . 66.7 t -88.1 139.32 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.764 ' CE1' HD13 ' A' ' 44' ' ' LEU . 26.7 m-85 -136.93 166.72 22.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.524 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 45.4 mtt-85 -158.09 126.53 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.642 HD11 HD21 ' A' ' 25' ' ' LEU . 17.7 mt -125.98 137.05 58.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 t -145.79 164.59 31.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.449 ' O ' ' CG ' ' A' ' 8' ' ' PRO . . . -123.79 166.17 16.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -109.99 141.55 42.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -117.08 -71.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -134.88 -59.21 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -80.91 -52.21 7.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -169.98 -129.77 1.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 97' ' ' ALA . 27.7 m-85 -113.54 156.61 23.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.912 0.387 . . . . 0.0 110.946 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.93 -112.62 2.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 131.61 21.54 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.254 . . . . 0.0 112.342 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.76 132.59 52.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.7 m -82.45 113.35 20.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -95.03 148.46 22.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.2 tt -159.6 148.97 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -119.31 105.04 10.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -87.37 108.39 18.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.961 HD21 ' HG2' ' A' ' 88' ' ' ARG . 14.3 mt -61.08 111.81 1.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.34 164.67 12.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -111.9 -90.0 1.91 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.549 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -122.21 132.75 54.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.2 t -98.22 145.38 26.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 118' ' ' SER . 0.1 OUTLIER -83.86 128.91 34.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.404 ' N ' ' HD3' ' A' ' 117' ' ' LYS . 58.0 m -118.43 162.79 17.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 135.36 84.81 0.19 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -26.78 27.37 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.0 p 48.24 42.36 17.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.0 m -83.06 113.1 20.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.925 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 p -128.1 90.59 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -164.41 121.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.6 -147.68 6.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.4 t -74.14 -55.85 5.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.844 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 m -63.74 148.71 48.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.41 -116.72 0.53 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -171.41 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.387 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.45 143.63 17.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.57 153.07 85.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 135.58 30.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -115.71 172.58 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.51 HG22 ' HD2' ' A' ' 15' ' ' ARG . 6.9 m 47.83 51.55 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -79.81 121.12 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.51 ' HD2' HG22 ' A' ' 13' ' ' THR . 0.6 OUTLIER -108.68 148.9 29.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.465 HD12 ' HB2' ' A' ' 111' ' ' TRP . 22.3 mt -134.55 125.89 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -137.59 117.31 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -65.52 134.5 53.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.956 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -105.0 161.78 13.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 20' ' ' VAL . 51.3 t -60.63 -9.99 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -108.07 -1.78 20.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.93 -120.3 1.3 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.707 HD12 HD11 ' A' ' 78' ' ' LEU . 96.6 mt -123.63 143.92 35.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.89 0.376 . . . . 0.0 111.109 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -124.57 105.58 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.552 HD21 HD11 ' A' ' 95' ' ' ILE . 2.6 tp -86.59 130.01 34.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.7 p -134.33 160.45 37.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 26.5 p90 -169.82 175.62 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -119.93 148.7 47.2 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.491 ' HD3' HG21 ' A' ' 69' ' ' THR . 53.9 Cg_endo -69.72 142.45 48.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.727 2.285 . . . . 0.0 112.357 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 147.93 64.38 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.498 HG23 ' N ' ' A' ' 32' ' ' SER . 9.8 t -134.2 -45.79 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.498 ' N ' HG23 ' A' ' 31' ' ' THR . 1.0 OUTLIER -51.9 -60.63 5.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.662 0.744 . . . . 0.0 110.849 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 32' ' ' SER . 53.6 Cg_endo -69.82 -50.38 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.246 . . . . 0.0 112.317 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t -163.83 145.73 9.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.43 -39.77 1.44 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.522 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -63.71 90.06 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.799 HD12 ' HB1' ' A' ' 97' ' ' ALA . 42.4 mm -113.6 101.26 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.9 mt -43.86 -56.51 3.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -152.84 178.74 9.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.598 ' CZ ' HG21 ' A' ' 37' ' ' ILE . 87.5 m-85 -129.04 166.68 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.6 p -163.68 147.88 10.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -116.2 162.34 17.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -143.68 159.85 41.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.098 HD21 ' HB2' ' A' ' 81' ' ' ALA . 12.7 tp -146.78 136.66 23.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.849 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -78.41 127.13 31.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.704 HD13 ' H ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -132.72 147.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.6 ptt85 -98.16 137.09 37.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.9 p -106.36 149.13 27.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.32 42.7 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -111.51 131.22 55.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.4 115.15 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -162.61 130.12 3.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -82.99 86.12 7.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -139.62 142.11 30.54 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.615 0.722 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 166.87 26.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.234 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.1 t -62.41 90.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' ' 59' ' ' VAL . 2.6 tp-100 -124.98 93.18 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.424 HD22 ' HB1' ' A' ' 45' ' ' ALA . 11.3 mt -41.87 116.62 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 57' ' ' GLN . 92.1 t -106.94 118.0 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.849 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 27.4 m-85 -102.34 135.78 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -114.74 149.44 36.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -71.15 112.75 7.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.2 pt -101.09 -12.41 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.47 ' CD2' ' HB2' ' A' ' 71' ' ' CYS . 18.8 t80 -149.48 132.29 16.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.5 t -128.49 102.63 6.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -172.08 166.63 39.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.801 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -83.44 -28.4 28.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.99 140.43 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.491 HG21 ' HD3' ' A' ' 29' ' ' PRO . 40.2 p -88.84 40.84 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 92.1 p -169.05 128.04 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 19.7 p -129.62 171.53 12.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.0 m -126.74 137.45 53.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.3 t -112.37 121.11 64.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.2 p -82.68 152.63 25.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -46.78 -54.42 9.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.06 -37.01 7.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -72.05 -47.13 53.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 110.933 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.707 HD11 HD12 ' A' ' 23' ' ' ILE . 19.0 mt -52.29 -43.59 64.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.89 -38.69 10.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -73.07 -26.35 61.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 1.098 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -65.68 143.07 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -94.64 146.59 24.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.9 mt -113.47 117.72 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -72.8 114.93 11.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -106.33 38.12 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.5 m -90.23 -58.32 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.0 t -121.26 -48.02 2.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.486 ' NE ' HD11 ' A' ' 112' ' ' LEU . 2.6 ttt85 -139.2 123.99 11.55 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 83.87 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.427 ' HB2' HD22 ' A' ' 112' ' ' LEU . . . -128.09 164.64 21.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.092 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 88.2 mt -89.85 131.7 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.0 t -90.62 106.19 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -101.12 160.46 14.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.44 ' HG3' ' CD2' ' A' ' 60' ' ' PHE . 24.5 mmt180 -140.06 125.53 19.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.552 HD11 HD21 ' A' ' 25' ' ' LEU . 14.5 mt -135.97 141.73 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.7 t -142.95 -178.09 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.799 ' HB1' HD12 ' A' ' 37' ' ' ILE . . . -132.32 138.67 47.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -84.36 142.42 30.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -112.17 -61.38 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -123.73 -64.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -124.01 -23.99 4.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.33 -169.79 12.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -114.97 161.34 18.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.949 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -86.15 -141.92 6.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 140.35 42.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 2.249 . . . . 0.0 112.306 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.66 125.17 45.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 99.0 m -79.33 137.37 37.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.185 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -109.69 118.61 37.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.1 tt -118.22 154.35 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -122.28 98.91 6.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.465 ' HB2' HD12 ' A' ' 16' ' ' ILE . 34.1 t90 -91.64 117.03 29.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.486 HD11 ' NE ' ' A' ' 88' ' ' ARG . 0.5 OUTLIER -53.75 101.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -64.28 -41.91 96.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 53.35 -138.05 36.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -128.0 154.52 45.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 86.3 p -115.62 110.89 19.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -70.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 t -93.95 140.41 29.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -135.03 -113.45 1.33 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.431 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 146.23 59.9 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.8 p -114.81 118.2 32.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.9 p -50.72 158.37 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 1' ' ' GLY . 18.3 t -36.13 105.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -151.92 159.7 43.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.61 143.58 2.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -94.62 -46.74 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.822 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 m -112.39 99.63 8.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.76 -154.6 7.35 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.435 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 53.4 Cg_endo -69.73 179.72 3.48 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.11 162.22 12.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.514 ' HB1' ' OG1' ' A' ' 107' ' ' THR . . . -88.15 145.57 36.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.556 0.693 . . . . 0.0 111.119 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.459 ' HG3' HG22 ' A' ' 95' ' ' ILE . 53.7 Cg_endo -69.81 144.46 53.82 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.72 2.28 . . . . 0.0 112.299 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.4 p -132.18 166.85 20.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 13' ' ' THR . 17.9 m 65.62 40.1 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 26' ' ' SER . 99.0 t -70.93 134.91 29.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -130.71 141.76 50.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.7 mt -128.73 120.91 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 t -118.33 155.07 31.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.3 127.2 32.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -105.04 147.98 27.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.6 t -54.59 -39.16 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.454 ' OD2' HG22 ' A' ' 74' ' ' THR . 18.7 t0 -79.77 -28.04 40.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.43 -101.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.602 HD12 HD21 ' A' ' 78' ' ' LEU . 58.8 mt -126.4 140.07 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 111.089 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -110.97 100.61 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tp -85.04 141.03 30.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.476 ' O ' HG13 ' A' ' 14' ' ' VAL . 1.3 t -147.49 162.49 38.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.4 p90 -165.8 177.59 7.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -125.37 154.85 72.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.674 0.749 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 148.34 64.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 148.03 64.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.385 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 31' ' ' THR . 2.0 t -96.02 91.27 5.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 m -157.1 158.12 30.92 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.662 0.744 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 34' ' ' SER . 53.9 Cg_endo -69.74 4.41 2.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.393 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 33' ' ' PRO . 23.8 p -31.9 146.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.85 -110.74 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -102.95 120.55 40.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.4 mm -87.97 104.97 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 39' ' ' GLU . 11.6 mt -76.27 175.77 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' LEU . 8.0 mp0 -37.19 153.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -95.49 169.02 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 t -135.79 123.43 22.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.816 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.2 120.12 41.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -109.47 163.69 13.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.898 HD21 ' HB2' ' A' ' 81' ' ' ALA . 10.4 tp -145.21 119.37 9.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 1.056 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -54.2 128.9 32.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.471 HG22 ' HA ' ' A' ' 81' ' ' ALA . 2.9 pp -140.2 176.9 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -115.26 136.03 53.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 48' ' ' THR . 10.7 t -117.39 122.03 42.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.94 98.32 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.066 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -131.79 -39.41 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.6 mtt 62.99 44.05 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -125.0 157.1 36.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -55.93 90.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.68 154.56 43.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -178.66 2.43 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.395 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.4 t -98.53 43.19 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 58' ' ' LEU . 10.9 mp0 -124.46 92.26 3.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 57' ' ' GLN . 2.7 mt -34.17 125.16 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.1 t -84.16 113.91 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 1.056 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 5.0 m-85 -95.4 155.73 16.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.79 127.59 37.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 62' ' ' ARG . 7.4 tmm_? -49.92 126.53 14.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 64' ' ' TYR . 25.7 pt -108.61 -33.15 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.472 ' N ' HG13 ' A' ' 63' ' ' ILE . 9.8 t80 -137.22 136.07 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 16.2 p -127.9 88.2 2.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.426 ' N ' ' CE1' ' A' ' 64' ' ' TYR . . . -150.22 167.41 30.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.487 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.573 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.3 pt? -84.8 -34.73 22.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.46 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -45.32 148.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.842 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.8 p -92.05 39.21 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -158.58 125.01 4.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 72' ' ' THR . 0.5 OUTLIER -121.38 161.0 22.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.517 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 50.7 m -126.83 144.11 51.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -128.02 140.38 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.454 HG22 ' OD2' ' A' ' 21' ' ' ASP . 61.8 p -111.11 169.5 8.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.94 -51.12 71.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.87 -40.52 1.08 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -85.49 -48.63 8.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.602 HD21 HD12 ' A' ' 23' ' ' ILE . 19.8 mt -41.11 -52.72 3.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.36 -39.66 7.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -71.06 -27.87 63.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.898 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -61.22 133.78 56.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -72.63 104.75 4.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.4 mm -76.8 104.29 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.57 94.85 2.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.463 ' O ' ' N ' ' A' ' 87' ' ' SER . 14.2 m-85 -81.36 10.36 5.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 60.8 p -52.07 86.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' TYR . 17.0 m 44.6 24.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.674 ' CG ' HD21 ' A' ' 112' ' ' LEU . 20.1 ttm180 -178.37 105.02 0.21 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.725 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 90.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.73 172.09 13.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 84.8 mt -114.99 142.16 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 76.7 t -102.3 121.38 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.489 ' CE1' HD13 ' A' ' 44' ' ' LEU . 56.4 m-85 -112.01 166.74 10.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.486 ' HG3' ' CD2' ' A' ' 60' ' ' PHE . 15.7 mmt180 -141.34 136.05 31.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.459 HG22 ' HG3' ' A' ' 11' ' ' PRO . 35.1 mt -142.92 134.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.4 m -150.02 162.04 41.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.32 155.65 18.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.091 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.525 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 23.1 tttp -118.12 127.06 53.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.435 ' ND2' ' HB3' ' A' ' 8' ' ' PRO . 11.9 m-20 -121.12 169.4 10.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 99' ' ' ASN . 5.4 mm-40 -36.79 -40.65 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -72.2 -62.4 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 171.71 -117.19 0.66 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.525 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 73.4 m-85 -126.12 135.63 51.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.385 . . . . 0.0 110.926 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -104.32 -121.42 4.92 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 136.15 32.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -101.4 145.16 29.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.514 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 62.8 m -109.91 133.97 52.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -116.51 155.5 28.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.3 tt -154.69 149.44 12.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 43.5 mtm-85 -112.39 131.38 55.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -126.09 100.89 6.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.674 HD21 ' CG ' ' A' ' 88' ' ' ARG . 7.1 mt -52.04 128.32 24.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -65.32 149.15 50.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -134.11 141.77 13.15 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.432 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -62.15 121.36 12.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.359 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.8 t -160.14 141.29 12.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -168.87 134.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.5 t -173.94 129.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -110.21 120.02 5.52 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 163.97 36.26 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 45.5 t -104.44 123.23 47.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.1 p -148.17 158.42 44.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.43 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 m -54.47 157.28 2.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m -93.52 105.09 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.01 128.83 6.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -43.77 -61.93 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -136.13 132.74 36.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.31 154.36 16.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -18.81 36.91 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.733 2.288 . . . . 0.0 112.325 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.93 164.72 12.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.47 154.52 37.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.5 ' HG3' HG22 ' A' ' 95' ' ' ILE . 53.7 Cg_endo -69.8 121.11 7.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.258 . . . . 0.0 112.313 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 t -106.62 164.38 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 13' ' ' THR . 7.7 m 66.17 38.45 4.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.401 HG22 ' CB ' ' A' ' 27' ' ' TRP . 93.3 t -79.0 110.27 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -119.43 133.14 55.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.7 mt -112.78 123.23 68.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.5 m -117.07 124.78 50.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -69.63 119.98 14.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -101.24 149.31 24.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -53.14 -38.91 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -75.48 -29.91 59.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.85 -127.36 1.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.638 HD12 HD21 ' A' ' 78' ' ' LEU . 57.2 mt -116.32 138.41 46.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 111.186 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -115.64 100.22 7.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.537 HD21 HD11 ' A' ' 95' ' ' ILE . 1.2 tp -83.86 141.9 30.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 m -151.62 157.51 42.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.512 ' CE2' ' HA ' ' A' ' 69' ' ' THR . 49.1 p90 -164.32 178.22 7.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -129.69 155.86 79.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.5 69.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.707 2.272 . . . . 0.0 112.376 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 31' ' ' THR . 53.3 Cg_endo -69.76 -162.72 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.619 HG22 ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -31.29 138.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.472 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -37.92 -61.47 0.79 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.709 0.766 . . . . 0.0 110.848 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.619 ' HD2' HG22 ' A' ' 31' ' ' THR . 53.7 Cg_endo -69.75 -51.19 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.264 . . . . 0.0 112.37 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 33' ' ' PRO . 3.0 m 32.97 45.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.28 -118.7 13.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -125.95 119.34 27.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.505 HG21 ' CE1' ' A' ' 40' ' ' TYR . 25.3 mm -96.33 112.08 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.8 mt -80.68 -55.95 4.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -168.16 166.39 12.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.505 ' CE1' HG21 ' A' ' 37' ' ' ILE . 82.7 m-85 -114.91 167.67 10.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.9 p -162.77 144.74 10.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.51 140.11 39.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -121.2 162.89 19.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 81' ' ' ALA . 19.0 tp -147.4 119.58 8.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.637 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . . . -60.6 120.45 10.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.804 ' O ' HD12 ' A' ' 46' ' ' ILE . 2.4 pp -138.91 140.89 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.419 HH22 ' CB ' ' A' ' 56' ' ' SER . 4.6 ptp180 -175.82 162.77 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 t -68.56 140.54 55.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.01 108.85 21.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -104.17 -59.02 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.8 ptp -128.68 176.72 7.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -39.56 -44.22 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -168.96 137.04 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -110.1 142.3 25.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 89.42 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.419 ' CB ' HH22 ' A' ' 47' ' ' ARG . 5.5 m -165.85 150.59 8.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' LEU . 6.8 mp0 -71.34 100.31 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 57' ' ' GLN . 10.5 mt -34.75 111.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.6 m -78.74 144.73 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.637 ' CZ ' ' HB2' ' A' ' 45' ' ' ALA . 4.0 m-85 -123.42 145.25 48.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.473 ' CE ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -123.35 140.34 53.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -62.78 126.94 29.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 64' ' ' TYR . 40.8 pt -104.72 -35.99 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.525 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -143.92 145.56 32.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.2 p -129.04 123.92 33.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.59 164.19 20.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.587 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -95.79 18.47 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 70' ' ' SER . 35.2 tttt -74.99 5.48 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.512 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 63.6 p 38.27 26.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 68' ' ' LYS . 1.0 OUTLIER -166.84 153.82 8.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.875 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 19.6 p -158.45 172.07 19.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.9 m -127.25 124.23 38.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.2 t -110.18 123.42 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.9 p -98.65 170.94 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -46.86 -51.35 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.59 -66.37 0.39 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.468 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -61.4 -43.32 99.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.921 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.638 HD21 HD12 ' A' ' 23' ' ' ILE . 20.1 mt -49.27 -44.3 43.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.02 -38.88 18.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.042 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -72.64 -25.8 61.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.734 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -58.18 142.3 47.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -106.29 109.1 20.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.3 133.81 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.07 99.61 6.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -93.14 42.96 1.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.4 p -98.86 -48.67 4.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.2 m -129.75 -48.06 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.594 ' CD ' HD21 ' A' ' 112' ' ' LEU . 13.6 ttm180 -138.84 121.64 10.68 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.59 0.709 . . . . 0.0 110.841 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 93.54 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.882 ' HB2' HD23 ' A' ' 112' ' ' LEU . . . -139.89 157.6 45.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.1 mt -91.79 126.34 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.1 t -94.59 121.75 45.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -108.86 171.42 7.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.606 ' HD2' ' HB1' ' A' ' 106' ' ' ALA . 12.8 mmt85 -149.41 125.84 10.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.537 HD11 HD21 ' A' ' 25' ' ' LEU . 25.6 mt -134.29 138.2 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.71 170.99 17.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.63 141.31 51.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -84.22 143.87 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -110.67 -70.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -126.26 -63.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -92.01 -45.69 8.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -153.96 -150.17 5.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -100.12 168.2 9.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 110.938 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.09 -106.25 2.51 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 126.21 13.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.357 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.606 ' HB1' ' HD2' ' A' ' 94' ' ' ARG . . . -104.03 131.42 51.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.1 m -87.03 134.83 33.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -110.62 110.84 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 13.9 tt -115.43 136.35 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -105.35 107.47 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -100.64 105.39 16.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.882 HD23 ' HB2' ' A' ' 90' ' ' ALA . 80.5 mt -58.7 105.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.23 177.68 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -120.29 -117.04 2.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -101.39 116.85 33.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.853 0.359 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 t -102.98 100.58 10.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -101.15 126.22 47.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 t -70.5 -44.83 66.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 82.14 -156.31 35.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 121' ' ' SER . 53.5 Cg_endo -69.82 -31.13 20.87 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.315 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 120' ' ' PRO . 1.7 t -36.52 137.18 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.8 p -76.29 105.85 7.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.52 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -108.41 -56.82 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -45.19 128.82 7.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.48 80.45 0.12 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -58.01 -50.25 74.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.883 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -76.03 135.46 39.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.36 -164.37 31.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.702 ' HB2' ' HB3' ' A' ' 97' ' ' ALA . 53.7 Cg_endo -69.81 173.33 11.18 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.13 162.08 21.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.458 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.58 141.63 93.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.559 0.695 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 158.29 57.42 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.6 p -133.71 166.46 22.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 m 60.48 52.75 4.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.699 HG22 ' HB2' ' A' ' 27' ' ' TRP . 83.0 t -95.29 112.78 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -122.41 141.9 51.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 53.4 mt -118.24 134.2 62.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.176 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 m -143.33 135.48 26.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -69.47 126.45 29.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -116.86 168.15 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.8 m -52.48 -38.5 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.31 26.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.65 -104.33 2.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.69 HD12 HD21 ' A' ' 78' ' ' LEU . 94.2 mt -118.94 145.78 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 111.127 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -120.36 97.34 5.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tp -86.21 118.48 25.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.8 p -133.34 135.79 44.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.699 ' HB2' HG22 ' A' ' 14' ' ' VAL . 45.3 p90 -144.07 176.12 9.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -122.65 153.03 62.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.588 0.708 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 164.32 34.98 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.94 40.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.4 t -92.34 -13.82 29.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.4 p -56.87 155.0 16.34 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.656 0.741 . . . . 0.0 110.899 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' GLY . 53.7 Cg_endo -69.75 -1.99 9.4 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.698 2.266 . . . . 0.0 112.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.404 ' O ' HD11 ' A' ' 37' ' ' ILE . 23.8 m -58.02 82.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -81.59 -147.19 5.75 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.501 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 55.47 25.55 7.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.404 HD11 ' O ' ' A' ' 34' ' ' SER . 18.6 mm -55.55 94.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.438 ' C ' ' CD ' ' A' ' 39' ' ' GLU . 26.0 mt -66.14 -67.58 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.438 ' CD ' ' C ' ' A' ' 38' ' ' LEU . 43.3 mp0 -156.97 163.62 38.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -109.8 168.65 9.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.8 t -148.78 125.44 11.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.43 134.64 48.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.061 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 4.2 m-85 -123.78 154.89 38.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.816 HD21 ' HB2' ' A' ' 81' ' ' ALA . 8.5 tp -128.98 128.22 43.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.66 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . . . -58.34 131.85 51.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.48 HG21 ' SD ' ' A' ' 61' ' ' MET . 42.1 pt -127.18 172.73 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -58.84 170.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.8 t -163.08 134.65 5.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.91 173.16 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 39.5 53.6 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -105.0 108.52 20.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -90.29 156.05 18.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.11 -57.25 5.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -42.03 151.29 0.34 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.709 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 128.65 16.31 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.4 t -142.44 179.89 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -58.86 144.96 42.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 mt -129.59 105.89 8.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.3 m -76.51 147.83 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.66 ' CZ ' ' HB2' ' A' ' 45' ' ' ALA . 3.1 m-85 -114.71 168.78 9.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.48 ' SD ' HG21 ' A' ' 46' ' ' ILE . 17.4 ptt? -124.66 138.46 54.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -65.14 118.79 9.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.514 HD12 HG22 ' A' ' 73' ' ' VAL . 30.1 pt -110.0 -25.47 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -150.92 135.1 16.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.3 t -128.4 89.46 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -153.51 164.11 30.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.585 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -94.74 18.68 11.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.933 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 70' ' ' SER . 23.0 ttpp -87.88 4.8 43.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.546 ' HA ' ' CZ2' ' A' ' 27' ' ' TRP . 41.9 p 39.74 24.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' LYS . 67.9 m -159.99 138.4 10.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.2 p -156.1 163.48 39.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 23' ' ' ILE . 72.3 m -110.78 135.07 51.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.514 HG22 HD12 ' A' ' 63' ' ' ILE . 58.7 t -108.31 110.14 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.8 p -78.44 177.14 8.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -62.34 -54.13 44.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.32 -41.1 0.3 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.509 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -83.84 -48.16 10.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.69 HD21 HD12 ' A' ' 23' ' ' ILE . 17.5 mt -46.2 -42.97 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.84 -34.77 20.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -77.21 -27.18 53.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.816 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -55.98 120.74 7.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -86.52 121.11 28.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.2 mt -81.64 138.58 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.64 106.78 17.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 89' ' ' PRO . 17.7 m-85 -99.28 41.78 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.2 p -102.16 -50.86 3.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.4 m -125.59 -44.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.633 ' CG ' HD21 ' A' ' 112' ' ' LEU . 20.1 ttm180 -142.1 120.71 7.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.423 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.73 80.99 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.713 2.275 . . . . 0.0 112.367 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.447 ' HB1' ' C ' ' A' ' 111' ' ' TRP . . . -137.09 168.56 19.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.447 HG22 ' CE2' ' A' ' 93' ' ' PHE . 13.3 mt -86.84 131.42 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.5 t -95.35 138.61 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.508 ' CE1' HD13 ' A' ' 44' ' ' LEU . 91.0 m-85 -129.11 176.52 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.428 ' C ' HG13 ' A' ' 95' ' ' ILE . 41.0 mtt-85 -162.74 141.0 8.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.428 HG13 ' C ' ' A' ' 94' ' ' ARG . 26.7 mt -142.02 143.11 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.7 t -150.12 172.66 14.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.702 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -103.6 164.17 11.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.5 ' HG3' ' CZ ' ' A' ' 103' ' ' TYR . 1.4 ttpm? -132.27 112.8 12.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 100' ' ' GLU . 65.4 t30 -131.62 176.38 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 99' ' ' ASN . 51.1 mt-10 -33.83 -46.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.66 -56.64 15.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.01 -87.93 0.15 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.5 ' CZ ' ' HG3' ' A' ' 98' ' ' LYS . 10.3 m-85 -150.69 122.86 8.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.917 0.389 . . . . 0.0 110.933 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -93.43 -149.02 24.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.509 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 157.64 59.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -126.16 132.68 51.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.4 m -82.22 136.46 35.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -101.41 155.47 18.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 14.5 tt -157.1 133.87 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -100.07 129.56 46.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.447 ' C ' ' HB1' ' A' ' 90' ' ' ALA . 19.1 t90 -121.41 109.78 15.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.633 HD21 ' CG ' ' A' ' 88' ' ' ARG . 27.0 mt -65.76 130.12 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -61.95 124.22 20.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 118.68 134.44 4.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -172.14 148.2 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.951 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 88.5 p -52.71 172.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -78.79 177.52 8.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.1 t -121.91 148.1 45.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.27 109.77 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.03 20.34 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.3 m -114.5 42.65 2.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.7 t -137.37 129.46 29.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.826 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -141.35 170.65 15.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.894 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 p -88.41 93.41 9.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.17 165.95 39.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -131.58 86.11 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -86.1 42.09 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.38 174.04 44.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 53.7 Cg_endo -69.8 138.75 38.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.22 159.74 4.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.429 ' HB1' ' OG1' ' A' ' 107' ' ' THR . . . -76.27 137.43 68.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.529 0.681 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 145.09 56.45 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -137.5 171.9 13.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 13' ' ' THR . 15.9 m 66.44 40.87 3.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.637 HG13 ' O ' ' A' ' 26' ' ' SER . 94.5 t -81.24 114.39 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -102.64 146.34 28.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.0 mt -132.75 146.19 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.4 m -153.25 135.3 14.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -64.92 132.54 49.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -108.98 169.26 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -73.47 -39.1 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -100.86 25.98 7.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.15 -139.6 10.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.693 ' CD1' HD11 ' A' ' 78' ' ' LEU . 43.6 mt -121.33 140.59 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 111.172 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -101.06 110.74 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.79 119.82 39.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.637 ' O ' HG13 ' A' ' 14' ' ' VAL . 59.9 p -121.16 155.34 34.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.5 p90 -159.63 166.2 31.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -122.66 153.05 62.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 166.03 28.93 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 144.87 55.3 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.689 2.259 . . . . 0.0 112.313 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 32' ' ' SER . 9.4 t -74.04 -41.85 61.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.424 ' N ' HG23 ' A' ' 31' ' ' THR . 20.8 p -45.06 153.11 0.53 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 99.34 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.642 2.228 . . . . 0.0 112.359 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.504 ' HB2' HD11 ' A' ' 37' ' ' ILE . 68.5 p -108.79 -57.27 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.68 -102.01 2.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -94.03 115.53 27.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.752 0.31 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.504 HD11 ' HB2' ' A' ' 34' ' ' SER . 45.4 mm -113.67 108.05 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' ' 100' ' ' GLU . 35.8 mt -50.65 170.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -43.29 155.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -90.8 169.07 11.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -141.9 134.61 28.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.41 131.4 53.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -122.01 162.18 21.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.927 HD21 ' HB2' ' A' ' 81' ' ' ALA . 18.2 tp -147.83 134.09 19.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.9 142.39 58.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.795 HG21 ' HG2' ' A' ' 61' ' ' MET . 0.0 OUTLIER -134.16 172.59 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 48' ' ' THR . 5.7 ttt180 37.28 42.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 47' ' ' ARG . 13.2 t 32.63 41.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 48' ' ' THR . . . 32.88 45.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -60.78 108.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.69 179.35 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' ASP . 88.5 mt-30 -42.17 165.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' GLN . 3.2 p-10 -33.96 -60.54 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -60.32 152.9 61.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 149.03 66.38 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.9 t -148.24 158.74 44.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -50.03 175.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.432 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . 0.2 OUTLIER -115.5 127.6 55.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.3 t -84.64 108.98 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.432 ' CE1' ' HB2' ' A' ' 58' ' ' LEU . 8.4 m-85 -89.54 116.82 27.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.795 ' HG2' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -88.27 139.77 30.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -53.06 123.21 11.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.499 HG13 ' N ' ' A' ' 64' ' ' TYR . 42.9 pt -106.28 -35.94 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.499 ' N ' HG13 ' A' ' 63' ' ' ILE . 62.6 t80 -128.57 138.48 52.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.1 p -127.41 117.23 21.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.13 -158.61 26.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.713 ' H ' HD23 ' A' ' 67' ' ' LEU . 2.5 pt? -121.12 -41.24 2.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.894 0.378 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.446 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -38.33 143.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.2 p -80.63 39.72 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -176.13 157.84 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.488 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 25.8 p -158.28 171.92 19.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.9 m -122.92 136.53 54.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.8 t -108.79 136.28 45.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.8 p -93.89 144.5 25.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -44.76 -53.41 7.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.097 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.04 -44.96 0.55 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.503 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -75.11 -45.16 43.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.693 HD11 ' CD1' ' A' ' 23' ' ' ILE . 12.9 mt -43.47 -36.64 2.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.74 -41.31 73.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -75.51 -25.62 57.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.927 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -54.71 129.45 36.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -70.85 137.28 49.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.2 mm -104.77 99.73 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -74.16 98.68 3.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' SER . 28.9 m-85 -82.43 19.54 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.7 p -59.98 75.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.148 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' TYR . 74.1 m 56.42 25.02 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.407 ' CG ' HD21 ' A' ' 112' ' ' LEU . 55.4 ttm-85 -179.54 104.99 0.18 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.496 ' O ' HD23 ' A' ' 112' ' ' LEU . 53.6 Cg_endo -69.81 93.56 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.28 . . . . 0.0 112.34 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.33 170.86 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.8 mt -100.91 136.76 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.71 142.34 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.611 ' CE1' HD13 ' A' ' 44' ' ' LEU . 60.2 m-85 -137.17 167.94 20.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.436 ' C ' HG13 ' A' ' 95' ' ' ILE . 16.1 mtm180 -152.28 139.62 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.436 HG13 ' C ' ' A' ' 94' ' ' ARG . 47.8 mt -145.06 139.95 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.4 t -150.07 165.95 31.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.43 165.27 13.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 103' ' ' TYR . 19.8 tttm -126.56 118.55 25.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 8' ' ' PRO . 45.1 m-20 -95.72 17.45 14.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.655 ' HB2' HD11 ' A' ' 38' ' ' LEU . 10.2 tt0 70.71 28.21 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -134.38 -43.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 103' ' ' TYR . . . 163.73 106.88 0.2 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 98' ' ' LYS . 14.1 m-85 -33.63 126.76 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.913 0.387 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -88.35 -139.43 6.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 145.47 57.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.721 2.281 . . . . 0.0 112.286 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.44 122.66 47.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.429 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 25.2 m -75.01 144.55 43.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -114.08 160.48 18.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.407 ' C ' ' HD3' ' A' ' 110' ' ' ARG . 15.6 tt -159.55 148.73 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.448 ' HD3' ' N ' ' A' ' 110' ' ' ARG . 0.9 OUTLIER -117.78 111.38 19.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 30.5 t90 -102.28 105.41 16.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 89' ' ' PRO . 19.9 mt -51.09 166.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -73.53 -52.73 12.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 67.03 -142.27 41.2 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -114.65 177.47 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 t -166.01 159.25 15.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -162.58 154.77 18.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.1 m -124.57 156.18 37.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -146.65 126.23 2.41 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 160.98 47.7 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 25.1 m -164.16 162.65 22.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.1 p -118.56 148.21 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.45 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -142.68 139.39 31.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.874 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t 45.31 42.17 7.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.15 -143.89 16.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 p -149.75 162.96 39.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.379 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 p -145.49 148.55 33.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.75 -170.26 26.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.54 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.465 ' HB2' ' HB3' ' A' ' 97' ' ' ALA . 54.1 Cg_endo -69.77 129.51 17.72 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.09 155.81 1.66 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' HB1' ' OG1' ' A' ' 107' ' ' THR . . . -83.91 147.26 50.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.719 . . . . 0.0 111.071 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.5 ' HG3' HG22 ' A' ' 95' ' ' ILE . 53.4 Cg_endo -69.79 133.04 24.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 m -118.18 162.16 18.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 13' ' ' THR . 17.7 m 70.27 40.91 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.503 HG22 ' HB2' ' A' ' 27' ' ' TRP . 63.0 t -74.93 109.68 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -104.96 146.42 29.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.6 mt -129.15 147.45 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -146.12 118.28 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -74.7 124.18 26.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -111.51 172.02 7.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 21' ' ' ASP . 35.6 m -64.27 -43.88 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.484 ' N ' HG23 ' A' ' 20' ' ' VAL . 1.6 m-20 -72.53 -29.79 63.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.43 -168.38 40.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 69.0 mt -81.11 142.38 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.852 0.358 . . . . 0.0 111.158 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -112.04 98.86 7.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 tp -84.44 119.83 25.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -127.07 156.84 41.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.503 ' HB2' HG22 ' A' ' 14' ' ' VAL . 17.0 p90 -168.66 175.08 6.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -111.73 153.84 44.21 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.682 0.753 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.33 21.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 2.244 . . . . 0.0 112.356 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.72 9.4 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.706 2.27 . . . . 0.0 112.329 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.0 t -82.45 39.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 34' ' ' SER . 58.8 m -107.72 155.16 40.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.662 0.744 . . . . 0.0 110.863 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 11.28 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.316 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 32' ' ' SER . 4.7 t -64.67 95.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.3 -79.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -53.94 121.66 8.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.2 mm -134.64 97.88 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 mt -73.8 169.93 16.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.438 ' CB ' ' HB3' ' A' ' 67' ' ' LEU . 2.4 pp20? -48.24 177.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -115.74 169.36 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.2 p -144.15 134.96 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.452 ' HB3' ' HB3' ' A' ' 64' ' ' TYR . . . -114.76 130.74 56.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -115.61 153.67 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.852 HD21 ' HB2' ' A' ' 81' ' ' ALA . 14.5 tp -135.55 114.05 11.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.579 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . . . -51.37 124.08 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.696 HG22 ' O ' ' A' ' 80' ' ' ASN . 42.3 pt -123.0 139.57 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -86.78 -42.31 13.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.9 p -39.85 -44.25 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.24 40.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -114.78 105.22 12.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.4 tpt -127.79 -51.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -132.56 81.15 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -154.4 142.47 20.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -54.95 158.88 4.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.631 0.729 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -38.32 8.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.266 . . . . 0.0 112.351 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.9 m -73.37 -45.01 57.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -58.21 147.59 29.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.463 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 10.2 mt -132.74 106.51 7.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.0 t -81.47 113.0 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.579 ' CD2' ' HB2' ' A' ' 45' ' ' ALA . 9.1 m-85 -98.81 153.93 18.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.661 ' SD ' HD13 ' A' ' 46' ' ' ILE . 11.1 ptt? -128.53 144.55 51.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 62' ' ' ARG . 7.1 tmm_? -65.54 121.74 15.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.439 HG13 ' N ' ' A' ' 64' ' ' TYR . 9.7 pt -112.73 -33.61 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.452 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 11.1 t80 -114.45 133.28 55.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.9 p -119.59 123.94 45.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.63 -168.62 40.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.59 ' N ' HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -133.95 13.93 3.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.917 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -84.26 167.95 16.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.1 p -89.99 -20.41 23.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.5 p -126.28 129.93 49.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.4 p -130.75 169.76 15.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.7 m -124.33 135.45 53.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.4 t -109.39 139.28 32.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 p -95.14 162.8 13.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.096 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -60.38 -46.34 90.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.86 -52.16 1.5 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.448 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.41 ' NE2' ' HB ' ' A' ' 63' ' ' ILE . 45.8 mt-30 -70.56 -42.5 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -51.15 -37.29 45.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.36 -36.25 68.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.696 ' O ' HG22 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -97.0 20.56 11.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.852 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -97.99 118.62 34.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.045 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -72.87 116.2 13.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.0 mt -94.49 121.22 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.943 ' OD1' HG23 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -72.52 98.68 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' SER . 9.8 m-85 -83.02 10.37 8.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 88' ' ' ARG . 60.0 p -52.62 89.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 85' ' ' TYR . 5.9 t 41.74 24.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 86' ' ' THR . 20.3 ttm180 -178.08 105.05 0.21 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.822 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 91.22 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.97 153.95 51.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.404 ' CG2' ' CE2' ' A' ' 93' ' ' PHE . 58.2 mt -96.59 134.2 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.943 HG23 ' OD1' ' A' ' 84' ' ' ASP . 93.6 t -96.72 138.15 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.481 ' HB2' ' CG2' ' A' ' 109' ' ' ILE . 61.1 m-85 -134.35 148.42 50.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -121.52 132.92 54.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.5 HG22 ' HG3' ' A' ' 11' ' ' PRO . 35.3 mt -140.79 142.04 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.0 t -160.15 162.78 34.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -104.74 153.23 21.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.519 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 41.6 tttt -106.08 132.28 52.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -123.41 179.33 4.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -42.81 -41.91 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -80.62 -53.72 6.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.75 -142.46 7.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.519 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 98.3 m-85 -98.12 135.78 39.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.932 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 105' ' ' PRO . . . -96.74 -133.74 7.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 104' ' ' GLY . 54.1 Cg_endo -69.74 142.74 48.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.381 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.19 159.93 16.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.414 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 84.0 m -112.07 137.48 50.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -104.26 118.68 37.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 17.1 tt -115.6 146.77 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.415 ' NH1' ' HD2' ' A' ' 88' ' ' ARG . 56.4 mtm180 -119.71 114.13 21.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.47 ' CZ3' ' CD ' ' A' ' 113' ' ' GLN . 18.8 t90 -105.21 96.94 6.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 mt -51.54 125.69 15.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.47 ' CD ' ' CZ3' ' A' ' 111' ' ' TRP . 4.2 mm100 -124.78 177.4 6.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -146.21 -42.73 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -48.35 126.99 12.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 51.2 p -103.92 179.85 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.6 156.74 31.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.9 t -100.47 118.49 36.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.412 ' HA2' ' HD2' ' A' ' 120' ' ' PRO . . . 175.84 97.98 0.11 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.47 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.412 ' HD2' ' HA2' ' A' ' 119' ' ' GLY . 53.0 Cg_endo -69.79 153.08 69.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 24.0 p -50.01 161.07 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.7 m -128.57 159.23 36.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 p -118.62 130.18 55.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -149.6 128.16 12.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.68 175.77 53.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -68.78 93.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.878 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -155.28 134.15 12.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.55 178.02 42.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -18.11 37.07 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.729 2.286 . . . . 0.0 112.349 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.93 171.28 25.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.475 ' HB1' ' OG1' ' A' ' 107' ' ' THR . . . -108.56 151.37 41.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 152.07 69.37 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.641 2.227 . . . . 0.0 112.333 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 m -139.03 168.38 19.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.821 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 13' ' ' THR . 17.2 m 52.15 43.37 30.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.162 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -69.16 113.71 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -108.5 130.56 55.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.49 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 23.9 mt -121.43 129.45 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 m -126.66 174.03 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -89.01 129.45 35.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.437 ' HB3' ' C ' ' A' ' 22' ' ' GLY . 6.8 t-20 -99.41 156.08 17.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.4 t -64.2 -38.09 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -109.78 29.3 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.437 ' C ' ' HB3' ' A' ' 19' ' ' ASN . . . 143.19 -135.88 6.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.432 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.574 HD12 HD21 ' A' ' 78' ' ' LEU . 43.7 mt -113.67 144.51 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -110.24 102.88 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.9 139.49 30.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.1 m -145.25 149.46 34.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -156.27 176.44 12.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -113.57 153.28 45.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.739 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 162.9 40.27 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.315 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 146.59 60.67 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.1 t -97.38 36.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.6 m -98.73 151.82 37.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.682 0.753 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 8.12 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.368 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.5 m -49.84 108.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.51 -79.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -90.75 153.32 20.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.722 HG21 ' OH ' ' A' ' 40' ' ' TYR . 37.9 mm -134.76 110.85 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 67.8 mt -70.62 160.25 32.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.965 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -45.51 150.22 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.722 ' OH ' HG21 ' A' ' 37' ' ' ILE . 30.8 m-85 -94.87 168.13 10.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 m -150.0 132.62 15.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.68 141.43 42.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -119.07 145.0 46.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.048 HD21 ' HB2' ' A' ' 81' ' ' ALA . 30.2 tp -119.65 117.35 28.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.491 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -46.66 134.96 9.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.452 HD12 ' OG1' ' A' ' 48' ' ' THR . 23.8 pt -129.6 129.39 66.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.77 19.03 1.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.452 ' OG1' HD12 ' A' ' 46' ' ' ILE . 70.9 p -86.73 42.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.06 175.47 10.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -131.2 109.67 10.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.2 mmt -134.84 102.66 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -100.12 -59.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.11 81.81 5.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -170.32 158.21 5.99 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.71 48.69 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.246 . . . . 0.0 112.362 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 t -51.04 109.72 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -151.14 168.11 25.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 2.7 mt -146.15 126.23 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.8 t -73.93 107.2 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 58' ' ' LEU . 17.2 m-85 -97.64 129.32 44.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -109.75 140.74 43.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -63.98 119.16 9.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 64' ' ' TYR . 28.5 pt -108.28 -32.37 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.448 ' N ' HG13 ' A' ' 63' ' ' ILE . 1.5 t80 -117.93 132.41 56.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.1 t -125.71 93.58 3.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -166.84 -169.7 30.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.492 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.736 ' H ' HD23 ' A' ' 67' ' ' LEU . 2.1 pt? -108.91 -39.28 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.45 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 13.7 tptm -41.26 140.12 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 50.6 p -85.61 37.67 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 86.1 p -167.49 124.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 20.1 p -131.03 166.45 20.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.0 m -120.44 128.88 53.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.0 t -103.15 130.71 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.0 p -88.51 155.36 19.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.499 ' HA ' HD12 ' A' ' 78' ' ' LEU . . . -53.2 -51.19 62.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.089 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -37.42 -49.59 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -71.03 -43.73 67.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.815 0.341 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.574 HD21 HD12 ' A' ' 23' ' ' ILE . 18.1 mt -45.71 -43.17 12.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.01 -42.04 60.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -74.26 -26.7 60.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 1.048 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -60.1 122.0 13.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -71.47 122.47 20.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 38.8 mm -86.82 107.84 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.33 99.2 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.501 ' O ' ' N ' ' A' ' 87' ' ' SER . 41.6 m-85 -89.21 17.04 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.9 p -59.59 75.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 85' ' ' TYR . 1.2 t 60.19 24.99 14.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 16.7 ttt180 -179.33 105.01 0.19 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.6 Cg_endo -69.78 88.53 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.248 . . . . 0.0 112.317 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.6 170.66 15.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 73.6 mt -103.09 129.44 54.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.5 t -86.9 109.46 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.718 ' CE1' HD13 ' A' ' 44' ' ' LEU . 52.3 m-85 -105.47 164.33 11.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -144.29 127.92 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 21.1 mt -134.24 132.56 55.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.2 t -142.24 163.2 33.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.86 149.65 25.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.42 ' HD3' ' CE2' ' A' ' 103' ' ' TYR . 17.4 tptm -110.01 134.74 51.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 100' ' ' GLU . 12.9 t-20 -126.31 165.4 19.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 99' ' ' ASN . 10.3 tt0 -36.35 -39.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -59.7 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.5 -147.04 10.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.42 ' CE2' ' HD3' ' A' ' 98' ' ' LYS . 54.3 m-85 -93.04 148.01 22.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.951 0.405 . . . . 0.0 110.923 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.418 ' HA3' ' HD2' ' A' ' 105' ' ' PRO . . . -115.49 -129.77 4.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.418 ' HD2' ' HA3' ' A' ' 104' ' ' GLY . 53.6 Cg_endo -69.7 143.91 52.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 0.0 112.372 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -116.75 144.43 44.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.475 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 28.4 m -110.26 143.02 41.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -110.12 150.84 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.9 tt -151.4 132.59 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -101.66 98.11 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.49 ' CD1' ' HB ' ' A' ' 16' ' ' ILE . 33.0 t90 -81.79 99.33 8.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.36 129.97 44.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -105.84 42.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -61.54 -46.28 94.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -87.66 104.13 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.347 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.1 t -134.83 97.9 3.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -96.86 88.73 4.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.6 t -120.28 42.15 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.82 157.75 32.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 108.98 2.19 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.2 t -166.14 147.1 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.8 m -52.01 168.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -125.41 95.13 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m -113.17 99.27 7.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.93 149.01 6.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t 66.2 43.23 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 m -122.6 -48.81 2.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.71 158.81 43.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD3' ' ND2' ' A' ' 99' ' ' ASN . 53.9 Cg_endo -69.72 147.2 62.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.332 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.49 174.7 7.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.423 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.17 148.11 33.91 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.565 0.698 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 112.19 3.0 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.6 m -95.3 153.49 17.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 m 75.02 41.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -71.26 111.44 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -101.74 144.42 30.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.5 mt -128.88 122.59 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.5 m -122.85 135.22 54.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -73.11 122.32 21.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -106.96 159.42 16.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 21' ' ' ASP . 7.1 p -58.76 -41.77 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' N ' HG13 ' A' ' 20' ' ' VAL . 35.4 m-20 -72.15 -28.8 63.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.92 -114.54 0.54 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.523 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.798 ' CD1' HD11 ' A' ' 78' ' ' LEU . 51.1 mt -119.12 137.62 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -105.59 99.53 9.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.725 HD21 HD11 ' A' ' 95' ' ' ILE . 1.1 tp -87.2 125.34 34.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.0 p -131.9 145.71 51.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 17.6 p90 -155.6 167.24 31.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -115.49 148.71 41.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.661 0.743 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 164.73 33.53 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.268 . . . . 0.0 112.307 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.95 64.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.5 t -97.18 33.94 1.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 86.8 p -131.98 138.66 32.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 79.53 0.94 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.712 2.274 . . . . 0.0 112.321 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.511 ' HB2' HD11 ' A' ' 37' ' ' ILE . 17.7 m -89.83 46.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 46.56 -161.43 0.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -50.9 118.81 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.511 HD11 ' HB2' ' A' ' 34' ' ' SER . 48.6 mm -96.01 92.45 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.685 HD12 ' HG2' ' A' ' 98' ' ' LYS . 69.3 mt -56.83 179.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -52.69 -174.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.408 ' O ' ' O ' ' A' ' 66' ' ' GLY . 13.0 m-85 -124.0 169.6 11.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 t -150.78 119.8 6.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -98.23 145.67 26.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.47 ' HB3' ' CB ' ' A' ' 60' ' ' PHE . 12.0 m-85 -128.01 156.41 42.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.858 HD21 ' HB2' ' A' ' 81' ' ' ALA . 28.6 tp -137.57 142.02 41.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.23 117.67 25.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.087 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 47' ' ' ARG . 30.4 pt -106.87 -36.79 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.446 ' N ' HG13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -175.08 151.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.8 p -89.66 109.94 20.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.44 -49.03 14.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -52.44 -42.14 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 65.5 mtm 52.79 40.47 30.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -110.59 167.57 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -78.84 45.16 0.59 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -64.12 155.09 80.33 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.609 0.718 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 86.63 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m 43.06 43.22 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -96.13 142.6 28.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 mt -133.87 146.81 50.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.532 ' O ' HG13 ' A' ' 59' ' ' VAL . 6.3 p -98.48 109.01 23.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.578 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 10.3 m-85 -103.65 124.52 48.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -94.07 135.4 35.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 62' ' ' ARG . 5.5 tmm_? -55.46 122.74 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.476 HG13 ' N ' ' A' ' 64' ' ' TYR . 42.5 pt -113.68 -37.86 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.509 ' CD1' ' HB2' ' A' ' 71' ' ' CYS . 32.4 t80 -115.7 133.15 56.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 9.3 t -114.9 90.32 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.471 ' HA3' ' CZ ' ' A' ' 64' ' ' TYR . . . -155.03 179.6 30.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.513 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.831 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.7 pt? -124.23 -26.45 3.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.926 0.393 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.74 150.97 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.3 p -79.3 41.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.0 p -175.89 127.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.509 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 16.5 p -134.82 162.42 32.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.9 m -125.63 136.68 53.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.0 t -111.61 144.62 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.3 p -94.13 162.46 13.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.52 -49.94 75.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.22 -54.02 2.1 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -63.52 -49.58 72.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.798 HD11 ' CD1' ' A' ' 23' ' ' ILE . 13.2 mt -44.13 -45.96 8.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.35 -43.6 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -72.93 -22.5 60.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.858 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -59.23 132.07 52.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.478 ' O ' ' CG ' ' A' ' 82' ' ' HIS . 3.9 p-80 -85.67 123.79 31.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 80.4 mt -97.74 120.64 47.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -83.1 101.95 11.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' A' ' 87' ' ' SER . 19.1 m-85 -82.97 18.95 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.6 m -56.82 79.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 85' ' ' TYR . 2.6 t 50.1 25.05 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.608 ' HG2' HD21 ' A' ' 112' ' ' LEU . 6.5 ttm180 -178.7 105.0 0.2 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.729 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.7 Cg_endo -69.73 96.97 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.724 2.283 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.732 ' HB2' HD23 ' A' ' 112' ' ' LEU . . . -142.33 153.21 43.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 70.9 mt -99.82 133.88 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 45.0 t -93.96 140.52 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -132.24 167.8 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.578 ' HG3' ' CD1' ' A' ' 60' ' ' PHE . 9.4 mmt180 -142.67 135.98 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.725 HD11 HD21 ' A' ' 25' ' ' LEU . 46.2 mt -145.3 140.52 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.4 p -151.71 176.69 11.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.401 ' C ' ' CD2' ' A' ' 103' ' ' TYR . . . -134.34 148.95 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.685 ' HG2' HD12 ' A' ' 38' ' ' LEU . 14.4 ttpp -113.32 131.66 55.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.443 ' ND2' ' HB3' ' A' ' 34' ' ' SER . 28.6 m-20 -97.5 -68.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -134.83 -58.62 0.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -73.12 -54.87 7.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.458 ' HA2' ' CD ' ' A' ' 98' ' ' LYS . . . -176.66 -146.45 6.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 98' ' ' LYS . 47.4 m-85 -103.04 155.77 18.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.14 -106.54 2.52 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.16 17.13 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.442 ' HB3' ' NH1' ' A' ' 94' ' ' ARG . . . -104.79 121.54 43.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.5 151.31 38.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -129.54 136.13 49.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 18.3 tt -137.58 136.76 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -104.56 103.82 13.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -88.12 95.71 10.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.732 HD23 ' HB2' ' A' ' 90' ' ' ALA . 31.9 mt -62.32 133.86 55.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -68.01 104.28 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.62 -102.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -109.04 123.7 49.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.36 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.3 m -134.35 123.77 24.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -143.81 171.65 13.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.0 p -157.26 165.0 37.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -39.81 133.42 2.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.473 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 2.56 3.4 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.4 p -49.37 154.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.9 p -40.32 -44.91 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -59.81 151.48 25.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.871 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 m -75.41 161.98 28.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.0 167.64 28.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p -59.79 157.61 11.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -54.11 -52.76 60.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.16 -157.77 12.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 125.85 12.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.337 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.25 143.07 22.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.46 153.97 81.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.537 0.684 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 143.54 51.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.237 . . . . 0.0 112.336 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.5 m -132.66 154.93 49.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m 72.0 45.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.91 129.75 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -120.0 153.99 35.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.8 mt -135.07 121.02 31.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.3 m -122.82 129.58 51.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -67.46 135.2 52.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -112.0 151.27 29.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.7 m -54.86 -32.29 26.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -83.77 -28.04 28.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.69 -106.14 0.22 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.647 ' O ' HG23 ' A' ' 72' ' ' THR . 63.2 mt -129.86 140.14 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 111.099 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -114.2 97.16 6.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tp -81.82 132.36 35.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -139.63 159.21 42.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 41.0 p90 -165.34 167.08 18.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -105.37 155.53 37.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.652 0.739 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 159.83 51.97 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 31' ' ' THR . 53.6 Cg_endo -69.74 94.39 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.646 2.23 . . . . 0.0 112.376 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' PRO . 9.3 t -34.89 -37.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 31' ' ' THR . 68.9 m -36.12 154.67 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.671 0.748 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 6.39 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.347 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 p -81.21 108.36 14.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.55 51.34 0.84 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -130.61 29.49 4.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.757 0.313 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.575 HG21 ' CE1' ' A' ' 40' ' ' TYR . 4.9 mp -82.96 85.0 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' ILE . 41.8 mt -37.17 -45.83 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -161.77 159.8 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.575 ' CE1' HG21 ' A' ' 37' ' ' ILE . 5.8 m-85 -102.84 169.04 8.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.7 p -147.31 127.8 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.09 126.08 52.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -111.63 138.13 48.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.952 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.753 ' O ' HG23 ' A' ' 46' ' ' ILE . 18.9 tp -116.03 106.77 14.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.73 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . . . -44.84 125.96 5.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.865 HD13 ' H ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -131.23 172.21 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.3 mmm-85 -41.59 139.72 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 50' ' ' GLN . 7.8 t -113.91 151.66 31.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.16 -49.06 70.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.576 ' O ' HG23 ' A' ' 48' ' ' THR . 10.3 mm100 -72.0 145.24 48.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.7 mtm -124.99 109.22 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -135.39 122.47 21.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -49.38 -49.62 43.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -70.52 153.2 95.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 116.35 4.52 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.676 2.25 . . . . 0.0 112.325 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 57' ' ' GLN . 43.3 p -134.26 -174.92 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' SER . 5.1 pt20 -36.37 148.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.9 mt -130.23 145.16 51.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.0 p -105.27 131.42 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.73 ' CD2' ' HB2' ' A' ' 45' ' ' ALA . 3.5 m-85 -120.75 130.8 54.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.734 ' HG2' HD12 ' A' ' 46' ' ' ILE . 7.4 ptt? -107.37 158.21 17.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -76.32 121.93 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.494 HG21 ' HB3' ' A' ' 44' ' ' LEU . 40.1 pt -109.31 -33.79 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.478 ' N ' HG13 ' A' ' 63' ' ' ILE . 8.7 t80 -133.83 138.66 45.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.1 t -128.77 96.35 4.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.01 138.83 5.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.665 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.1 pt? -54.98 -37.9 67.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 110.933 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 8.5 ttmm -41.0 142.88 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 79.4 p -93.89 37.69 1.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.6 p -165.24 124.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.6 p -134.08 166.56 22.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 23' ' ' ILE . 86.8 m -121.86 141.0 51.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.414 HG12 ' HG ' ' A' ' 78' ' ' LEU . 90.8 t -110.69 138.93 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.2 p -95.59 172.14 8.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -67.8 -58.9 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.51 -42.61 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -78.98 -42.47 26.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.601 HD11 HD12 ' A' ' 23' ' ' ILE . 16.1 mt -50.65 -48.26 58.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.68 43.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -71.2 -23.38 62.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.47 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -62.65 129.39 40.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -77.4 92.75 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 76.6 mt -74.16 119.5 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.91 94.64 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 87' ' ' SER . 11.1 m-85 -76.6 7.07 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.0 m -47.86 87.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 85' ' ' TYR . 23.3 m 43.37 25.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.406 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 6.8 mtt180 -178.03 106.21 0.21 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.596 0.713 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.4 Cg_endo -69.76 97.8 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.48 ' HB1' ' HG2' ' A' ' 110' ' ' ARG . . . -142.36 157.6 44.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 13.4 mt -105.2 133.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.436 ' CG1' ' CD ' ' A' ' 108' ' ' GLN . 74.1 t -97.43 122.26 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.437 ' CE1' HD13 ' A' ' 44' ' ' LEU . 51.1 m-85 -105.36 164.81 11.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.592 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 3.0 mmm180 -148.66 115.76 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.4 mt -128.54 146.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.1 t -148.65 170.75 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.419 ' HB1' HG12 ' A' ' 37' ' ' ILE . . . -110.0 139.08 45.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 38.1 tttt -103.8 137.41 41.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 100' ' ' GLU . 22.1 p-10 -132.02 173.05 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 99' ' ' ASN . 31.0 mt-10 -36.82 -43.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -64.55 -64.95 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 172.41 -93.05 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.43 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 39.8 m-85 -144.7 137.67 26.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.921 0.391 . . . . 0.0 110.946 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -111.84 -128.17 5.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.96 46.66 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.336 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.98 162.94 15.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 96.8 m -121.76 137.77 54.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.436 ' CD ' ' CG1' ' A' ' 92' ' ' VAL . 2.1 tt0 -116.89 148.28 41.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.4 tt -151.8 133.25 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.48 ' HG2' ' HB1' ' A' ' 90' ' ' ALA . 14.1 ttp180 -93.25 141.46 28.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -123.06 105.57 10.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.9 mt -76.77 105.58 7.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -82.09 171.45 14.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.69 -68.26 1.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -160.4 151.39 18.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 51.1 m -49.03 156.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -106.99 147.0 30.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.3 t -152.29 132.67 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 170.68 142.61 3.67 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 149.28 66.84 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.714 2.276 . . . . 0.0 112.334 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.7 t -121.07 153.51 37.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 123' ' ' GLY . 25.4 m -93.42 137.97 32.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 122' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.815 0.256 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.02 154.79 1.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.7 149.57 96.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 146.25 59.36 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.26 . . . . 0.0 112.346 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.6 m -120.28 168.99 10.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 59.63 49.82 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.789 HG22 ' HB2' ' A' ' 27' ' ' TRP . 95.4 t -96.87 111.89 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -121.71 159.12 27.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.678 HG12 HD12 ' A' ' 25' ' ' LEU . 58.9 mt -128.13 117.78 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.8 m -111.88 148.97 32.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -72.16 131.99 43.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -105.26 169.5 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 20' ' ' VAL . 46.9 t -82.63 -12.66 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -125.17 10.17 8.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.89 -123.73 1.49 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.55 HD12 HD21 ' A' ' 78' ' ' LEU . 65.6 mt -123.8 139.42 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 111.166 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -107.23 99.62 9.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.678 HD12 HG12 ' A' ' 16' ' ' ILE . 2.2 tp -86.23 123.43 31.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.5 p -132.07 147.62 52.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.789 ' HB2' HG22 ' A' ' 14' ' ' VAL . 48.3 p90 -155.45 -178.78 7.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -128.32 153.66 78.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 163.81 36.86 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.698 2.266 . . . . 0.0 112.365 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 148.54 65.4 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.351 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.18 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.2 mm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.861 0.363 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.6 mt -78.66 171.06 15.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -45.74 156.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -96.75 166.52 11.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.6 t -148.56 136.15 20.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -116.44 130.1 56.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 3.2 m-85 -112.99 158.05 20.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.635 HD13 ' CE1' ' A' ' 93' ' ' PHE . 14.6 tp -138.27 127.73 24.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.61 137.08 44.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.541 HD13 ' HG2' ' A' ' 61' ' ' MET . 7.6 pt -135.53 170.93 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.457 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.844 0.354 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.1 t -119.5 104.45 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.53 ' CD1' ' NH2' ' A' ' 94' ' ' ARG . 16.3 m-85 -92.21 128.46 38.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.541 ' HG2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -116.91 133.97 55.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -50.59 128.81 21.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.0 pt -117.43 -30.61 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -128.06 126.62 41.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.6 t -119.38 106.68 12.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.0 -167.26 35.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.446 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.871 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.8 pt? -111.66 -27.39 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.37 . . . . 0.0 110.936 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.74 145.49 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.2 p -93.04 38.55 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.5 p -171.73 126.95 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 11.4 p -129.83 167.74 17.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.2 m -124.93 135.66 53.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.0 t -111.23 118.5 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.7 p -77.63 155.54 31.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 78' ' ' LEU . . . -49.53 -61.02 2.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.56 -37.73 0.57 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -74.2 -41.54 61.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.359 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.55 HD21 HD12 ' A' ' 23' ' ' ILE . 9.5 mt -57.4 -34.11 68.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.77 -13.26 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.082 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.34 -22.16 16.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.501 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -62.69 133.8 55.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.441 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 7.2 t60 -96.08 105.16 17.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.6 mt -81.79 135.67 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -82.82 109.95 17.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -97.66 34.09 1.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.9 m -84.18 -60.04 2.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -113.78 -49.7 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.8 mtt85 -144.12 132.5 10.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.631 0.729 . . . . 0.0 110.822 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 95.77 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.314 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.88 154.05 49.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.3 mt -88.59 129.52 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.9 t -96.55 116.87 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.635 ' CE1' HD13 ' A' ' 44' ' ' LEU . 40.6 m-85 -110.93 147.21 35.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.825 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.821 ' HG2' ' HB1' ' A' ' 106' ' ' ALA . 5.5 ttm180 -124.3 136.16 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.556 HD11 HD21 ' A' ' 25' ' ' LEU . 28.2 mt -142.58 147.02 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.183 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.1 t -156.52 177.67 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -126.89 134.03 50.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.531 ' HB2' ' CE2' ' A' ' 103' ' ' TYR . 27.8 tttt -83.58 135.82 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.48 -58.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -132.89 -65.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -123.86 -10.35 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -140.11 -178.31 16.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.531 ' CE2' ' HB2' ' A' ' 98' ' ' LYS . 12.6 m-85 -113.23 165.06 12.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 0.0 110.891 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -86.3 -152.7 21.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.445 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 124.82 11.43 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.821 ' HB1' ' HG2' ' A' ' 94' ' ' ARG . . . -81.72 149.05 28.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.9 m -104.51 133.12 49.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -98.15 113.42 25.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.416 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 15.6 tt -112.39 149.82 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -120.26 117.2 27.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 15.0 t90 -100.62 111.92 24.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 113' ' ' GLN . 16.8 mt -83.57 115.9 22.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 112' ' ' LEU . 53.7 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.845 0.269 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.92 154.49 25.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.552 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.16 151.15 39.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.56 0.695 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HG3' HG22 ' A' ' 95' ' ' ILE . 53.4 Cg_endo -69.79 159.84 51.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.287 . . . . 0.0 112.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -138.61 168.52 19.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m 55.17 47.77 20.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.3 t -76.26 111.04 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -106.71 152.17 24.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.568 HG12 HD12 ' A' ' 25' ' ' LEU . 56.3 mt -135.01 122.68 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -117.6 147.89 42.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -70.9 131.88 44.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -104.73 146.62 28.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.6 m -61.29 -20.76 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -114.54 2.28 14.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.26 -121.0 0.99 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.567 HD12 HD21 ' A' ' 78' ' ' LEU . 15.0 mt -130.86 138.05 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -108.64 99.75 9.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.568 HD12 HG12 ' A' ' 16' ' ' ILE . 1.8 tp -80.09 136.8 36.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -138.45 162.12 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 32.8 p90 -167.92 -176.7 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -127.05 155.62 75.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 152.07 69.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.314 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 107.34 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.629 ' O ' HG23 ' A' ' 31' ' ' THR . 9.1 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.9 mm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.846 0.355 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.6 mt -56.27 -68.17 0.23 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -148.05 170.71 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -108.63 162.79 13.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -150.13 120.4 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.99 145.02 30.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 1.5 m-85 -130.84 157.88 41.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 81' ' ' ALA . 33.3 tp -127.02 118.88 25.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.65 125.15 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.448 HG23 ' O ' ' A' ' 44' ' ' LEU . 11.1 pt -131.5 161.22 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.1 t -86.93 137.82 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.536 ' CE2' ' HG3' ' A' ' 94' ' ' ARG . 10.6 m-85 -114.28 153.06 30.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.402 ' O ' HG23 ' A' ' 63' ' ' ILE . 15.6 ptt? -126.51 138.29 53.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -60.06 119.59 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 61' ' ' MET . 36.5 pt -115.88 -14.8 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -149.84 132.28 15.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 38.1 t -123.74 96.97 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.26 -162.77 12.35 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.588 ' N ' HD23 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -124.02 -19.01 5.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.917 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 70' ' ' SER . 7.2 tmtm? -53.72 147.06 12.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.452 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 66.6 p -83.86 27.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.473 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 3.8 p -168.0 131.85 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 18.7 p -129.81 168.01 17.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.7 m -118.03 138.05 52.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -115.2 132.95 62.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.6 p -90.49 161.51 15.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.487 ' HA ' HD12 ' A' ' 78' ' ' LEU . . . -63.46 -46.97 83.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -43.1 -39.29 3.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -79.9 -38.09 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.923 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.567 HD21 HD12 ' A' ' 23' ' ' ILE . 63.2 mt -54.48 -35.86 63.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.6 -29.94 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.087 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -85.44 -15.62 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.694 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -59.33 128.47 37.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -75.04 125.14 28.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 16.2 mm -98.97 126.63 52.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 88' ' ' ARG . 16.6 t70 -98.96 94.94 6.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 86' ' ' THR . 20.0 m-85 -81.59 -30.01 33.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 85' ' ' TYR . 95.5 m -36.82 -64.3 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 m -92.06 -67.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.698 ' HD3' HD21 ' A' ' 112' ' ' LEU . 7.3 ttm105 -148.64 133.45 9.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 92.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.41 160.67 39.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.593 HD12 ' HE3' ' A' ' 111' ' ' TRP . 78.3 mt -86.84 127.41 40.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.5 t -87.44 103.84 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.45 ' HB2' ' CG2' ' A' ' 109' ' ' ILE . 6.6 m-85 -100.55 133.84 44.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.536 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -118.24 134.15 55.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.431 HG22 ' HG3' ' A' ' 11' ' ' PRO . 19.2 mt -138.44 138.14 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.3 t -151.96 172.27 16.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.45 150.83 34.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.06 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 103' ' ' TYR . 3.5 ttpm? -112.22 121.06 43.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 100' ' ' GLU . 13.9 p-10 -120.94 173.76 7.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 99' ' ' ASN . 17.0 mt-10 -35.06 -39.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -77.92 -59.61 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 158.92 -128.37 2.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.44 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 98' ' ' LYS . 71.6 m-85 -114.74 127.16 55.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.971 0.415 . . . . 0.0 110.906 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.36 -95.93 1.94 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 136.33 32.86 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.324 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.4 ' CB ' ' HE ' ' A' ' 94' ' ' ARG . . . -127.01 165.84 18.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.0 m -127.39 123.49 36.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -104.68 116.33 31.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.45 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 10.7 tt -116.89 158.37 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -125.12 120.39 31.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.593 ' HE3' HD12 ' A' ' 91' ' ' ILE . 14.2 t90 -101.74 126.63 48.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.698 HD21 ' HD3' ' A' ' 88' ' ' ARG . 33.4 mt -81.72 97.04 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 179.919 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.23 0.123 0 CA-C-O 120.855 0.273 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.77 170.86 31.15 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.82 154.36 47.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.576 0.703 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 141.59 45.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.2 m -117.87 162.02 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 13' ' ' THR . 11.4 m 55.51 47.65 20.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -81.19 114.9 22.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.0 mtm-85 -112.05 146.44 37.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.442 HD12 ' HB2' ' A' ' 111' ' ' TRP . 22.1 mt -122.9 109.23 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 t -108.75 123.03 48.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -67.38 136.32 54.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -106.44 171.56 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.4 t -74.4 -37.42 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -93.4 -20.95 19.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.33 -128.57 1.08 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.506 HD12 HD21 ' A' ' 78' ' ' LEU . 60.7 mt -127.96 153.33 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 111.104 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.427 ' N ' HG22 ' A' ' 23' ' ' ILE . 16.3 t-80 -118.12 97.97 6.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.831 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tp -87.39 117.01 25.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.1 p -123.38 155.19 37.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.2 p90 -159.89 177.07 11.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -124.16 154.19 68.41 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.63 0.728 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 169.99 17.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 116.7 4.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.478 HG21 ' CE1' ' A' ' 40' ' ' TYR . 50.1 mm . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.819 0.342 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 9.9 mt -67.64 -59.05 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 38' ' ' LEU . 22.9 mt-10 -162.78 171.37 16.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.478 ' CE1' HG21 ' A' ' 37' ' ' ILE . 38.0 m-85 -115.36 168.3 10.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -152.72 129.0 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.616 ' HB3' ' HB3' ' A' ' 64' ' ' TYR . . . -96.03 158.7 15.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -144.92 157.58 44.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' A' ' 81' ' ' ALA . 3.9 tp -147.62 121.41 9.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.699 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -57.05 128.82 38.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.7 pt -122.26 149.51 25.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' N ' ' HB2' ' A' ' 82' ' ' HIS . 15.7 ttt85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.853 0.358 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.4 p -106.64 135.43 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.699 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 16.7 m-85 -121.57 143.1 49.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.2 ptt? -130.06 143.21 50.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -67.58 117.59 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.466 HD12 HG22 ' A' ' 73' ' ' VAL . 45.7 pt -103.57 -24.73 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.616 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 34.7 t80 -130.03 132.86 46.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.3 p -125.65 111.92 15.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.82 171.53 39.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.678 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.3 pt? -88.02 -24.39 23.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.02 141.05 29.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.9 p -87.74 40.07 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.184 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 m -167.1 145.97 5.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 27.1 p -148.77 167.33 25.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.1 m -121.14 138.02 54.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.466 HG22 HD12 ' A' ' 63' ' ' ILE . 56.0 t -120.91 111.74 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.3 p -76.99 168.86 19.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.55 76.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.082 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -42.78 -49.78 6.02 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -69.28 -47.25 65.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.506 HD21 HD12 ' A' ' 23' ' ' ILE . 16.8 mt -47.6 -47.97 28.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.28 -42.9 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.106 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -72.16 -22.44 61.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.804 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -59.55 134.57 57.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.442 ' HB2' ' N ' ' A' ' 47' ' ' ARG . 7.8 t60 -86.44 133.27 33.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.446 HG21 ' CZ ' ' A' ' 85' ' ' TYR . 46.7 mm -106.73 120.67 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.442 ' CG ' HG22 ' A' ' 86' ' ' THR . 20.5 t0 -74.15 104.87 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.446 ' CZ ' HG21 ' A' ' 83' ' ' ILE . 61.1 m-85 -104.68 42.57 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.442 HG22 ' CG ' ' A' ' 84' ' ' ASP . 10.5 t -113.28 -33.71 5.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.4 m -125.2 -41.75 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -165.7 130.95 1.9 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 90.51 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.71 167.13 22.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.548 HD12 ' HE3' ' A' ' 111' ' ' TRP . 62.1 mt -92.16 124.77 44.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.5 t -94.9 110.06 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.418 ' CE2' HG21 ' A' ' 91' ' ' ILE . 12.9 m-85 -103.38 175.13 5.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -160.24 119.88 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.5 mt -125.21 147.37 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -163.22 161.71 25.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.24 158.33 17.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 14.8 ttpt -119.2 123.93 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -125.28 -177.25 3.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 -40.31 -45.96 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -66.73 -62.77 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.54 -137.37 4.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 41.2 m-85 -101.99 120.12 39.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.949 0.404 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.66 -155.76 5.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.432 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 146.09 59.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -110.69 132.94 53.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.6 m -83.58 127.12 33.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -98.69 114.04 26.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.411 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 13.3 tt -111.72 155.98 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 51.3 mtt85 -124.84 101.92 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.548 ' HE3' HD12 ' A' ' 91' ' ' ILE . 20.1 t90 -88.59 111.61 22.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 mt -76.06 130.19 37.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.23 0.108 0 CA-C-O 120.846 0.269 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.34 162.07 13.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.78 144.1 29.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 133.38 25.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -122.94 158.13 31.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m 69.16 47.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.86 121.36 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -114.62 144.75 42.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.4 mt -130.27 125.93 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.7 m -116.22 149.93 38.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -91.57 122.25 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -116.59 154.55 30.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -53.5 -40.98 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -71.0 -20.93 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.72 -124.39 1.48 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.501 HD12 HD21 ' A' ' 78' ' ' LEU . 14.8 mt -118.21 143.62 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 111.114 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 71' ' ' CYS . 6.6 t-80 -115.02 107.69 15.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.535 HD21 HD11 ' A' ' 95' ' ' ILE . 2.8 tp -84.3 124.16 30.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -128.8 163.25 25.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.417 ' CE2' ' HA ' ' A' ' 69' ' ' THR . 31.7 p90 -171.67 178.17 3.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -123.33 155.18 65.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.654 0.74 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.41 67.05 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 138.3 37.4 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.813 HG21 ' CZ ' ' A' ' 40' ' ' TYR . 29.8 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.855 0.36 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.1 mt -57.6 -57.65 11.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -163.66 164.5 23.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.813 ' CZ ' HG21 ' A' ' 37' ' ' ILE . 5.0 m-85 -111.44 168.91 9.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.8 p -164.97 148.1 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -106.97 165.26 11.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -144.35 147.33 33.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.846 HD21 ' HB2' ' A' ' 81' ' ' ALA . 4.0 tp -136.67 118.97 15.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.488 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -57.39 125.97 25.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.058 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.9 pt -114.01 -178.07 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.431 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 10.6 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.835 0.35 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.0 p -79.15 132.69 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 15.0 m-85 -104.36 160.51 14.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.521 ' CE ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -143.87 132.92 22.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 62' ' ' ARG . 17.6 ttp-105 -51.95 136.14 29.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.521 HG22 ' CE ' ' A' ' 61' ' ' MET . 13.8 pt -123.96 -14.63 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -143.03 144.59 32.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.8 p -125.49 127.02 45.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.63 172.15 24.46 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.527 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.39 14.19 30.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -82.59 150.86 26.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.417 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 80.8 p -93.81 27.0 2.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.3 p -162.19 125.7 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.468 ' O ' ' CD2' ' A' ' 24' ' ' HIS . 12.8 p -129.86 167.79 17.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.4 m -116.43 145.13 43.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.2 t -126.42 113.0 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.7 p -81.97 155.06 25.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.86 -53.21 34.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.61 -34.07 0.24 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -81.58 -50.66 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.501 HD21 HD12 ' A' ' 23' ' ' ILE . 13.9 mt -43.48 -30.73 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.57 -42.83 71.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 81' ' ' ALA . 27.2 p30 -73.54 -23.69 60.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.846 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -61.09 137.13 58.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -86.94 131.5 34.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.594 HG21 ' CZ ' ' A' ' 85' ' ' TYR . 47.2 mm -104.43 123.33 58.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.827 ' OD1' HG23 ' A' ' 86' ' ' THR . 43.5 t0 -86.21 122.15 29.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.594 ' CZ ' HG21 ' A' ' 83' ' ' ILE . 45.2 m-85 -118.58 28.67 8.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.827 HG23 ' OD1' ' A' ' 84' ' ' ASP . 29.5 p -80.2 -51.01 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 t -117.73 -56.1 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -140.4 133.96 15.11 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 92.6 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -139.39 168.13 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 68.4 mt -101.92 137.56 29.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.7 t -103.6 113.63 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -103.57 176.76 5.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.549 ' HG2' ' HB1' ' A' ' 106' ' ' ALA . 17.3 ttt85 -159.87 126.3 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.535 HD11 HD21 ' A' ' 25' ' ' LEU . 16.1 mt -130.71 148.93 33.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -164.32 154.05 14.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.04 132.95 52.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.048 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.444 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 28.9 tttm -94.34 119.4 33.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -109.86 -175.96 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.17 -30.34 16.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.9 mmtm -80.8 -56.62 4.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.44 -137.66 4.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 36.7 m-85 -104.55 120.87 42.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.39 . . . . 0.0 110.949 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -82.81 -149.44 8.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 128.6 16.23 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.549 ' HB1' ' HG2' ' A' ' 94' ' ' ARG . . . -96.82 130.02 44.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 99.6 m -86.57 135.2 33.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -103.52 139.13 39.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 19.6 tt -139.29 129.47 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -99.09 104.08 16.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -87.41 113.74 23.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.0 mt -73.51 125.42 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.914 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.089 0 CA-C-O 120.834 0.264 . . . . 0.0 112.384 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.11 159.78 35.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 105' ' ' PRO . . . -113.73 151.14 44.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.603 0.716 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 149.87 67.6 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 m -136.35 168.57 19.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 13' ' ' THR . 11.6 m 53.16 50.35 17.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.457 HG22 ' CB ' ' A' ' 27' ' ' TRP . 77.2 t -80.01 133.22 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -123.29 144.75 49.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.7 mt -129.05 121.06 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -124.35 132.71 53.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -67.8 132.72 47.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -108.96 168.74 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.68 -38.24 44.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -100.52 18.07 20.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.94 -147.17 18.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.628 HD12 HD21 ' A' ' 78' ' ' LEU . 63.5 mt -113.21 139.05 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 111.092 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -103.44 97.8 7.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.504 HD23 ' HZ3' ' A' ' 27' ' ' TRP . 2.6 tp -87.82 117.29 26.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.4 p -124.04 155.48 38.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.504 ' HZ3' HD23 ' A' ' 25' ' ' LEU . 34.5 p90 -160.9 163.39 31.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -99.86 151.25 37.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.635 0.731 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 152.44 68.96 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.653 2.235 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 115.39 4.08 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.71 2.274 . . . . 0.0 112.346 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.786 HG21 ' CE1' ' A' ' 40' ' ' TYR . 13.0 mm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.843 0.354 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.7 mt -64.65 -65.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -150.3 175.31 11.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.786 ' CE1' HG21 ' A' ' 37' ' ' ILE . 31.2 m-85 -124.73 165.96 17.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.9 m -163.91 157.8 19.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -133.03 143.15 49.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -119.94 137.44 54.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.942 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.719 ' CB ' HG21 ' A' ' 63' ' ' ILE . 51.9 tp -101.92 130.7 48.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -67.37 99.44 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.497 HG21 ' CE ' ' A' ' 61' ' ' MET . 12.7 pt -107.92 174.4 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.1 p -97.7 147.73 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.539 ' CD2' ' HG3' ' A' ' 94' ' ' ARG . 13.7 m-85 -122.81 159.46 28.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.497 ' CE ' HG21 ' A' ' 46' ' ' ILE . 7.1 ptt? -150.28 143.51 24.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -58.81 131.35 50.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.719 HG21 ' CB ' ' A' ' 44' ' ' LEU . 11.0 pt -123.76 -2.2 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -156.52 133.76 10.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.8 m -125.74 106.28 9.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.46 -165.67 26.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.516 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.62 10.2 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.857 0.361 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -78.62 171.81 14.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.1 p -102.34 0.64 34.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.7 m -153.47 127.93 9.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 15.5 p -127.59 166.52 17.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.1 m -114.16 134.69 54.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.6 t -105.2 140.5 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.6 p -96.18 153.28 17.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.585 ' HA ' HD12 ' A' ' 78' ' ' LEU . . . -57.97 -46.71 84.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -41.85 -42.54 3.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -78.08 -41.9 33.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.628 HD21 HD12 ' A' ' 23' ' ' ILE . 21.1 mt -49.92 -40.49 43.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.22 -36.89 6.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -78.28 -25.13 46.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.477 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -58.28 108.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -75.14 125.58 29.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.2 mt -92.82 125.85 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -75.57 95.18 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 89' ' ' PRO . 39.0 m-85 -91.83 30.63 1.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.4 m -86.87 -64.93 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -100.88 -45.18 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.401 ' CD ' HD21 ' A' ' 112' ' ' LEU . 15.6 ttm180 -151.96 135.71 9.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.423 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.76 91.98 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.89 165.39 27.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 66.7 mt -100.57 129.35 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -92.3 117.82 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.487 ' HB2' ' CG2' ' A' ' 109' ' ' ILE . 16.5 m-85 -105.87 173.82 6.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.539 ' HG3' ' CD2' ' A' ' 60' ' ' PHE . 12.0 mmm-85 -147.18 127.89 14.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.435 HG13 ' C ' ' A' ' 94' ' ' ARG . 18.5 mt -142.62 139.97 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.8 t -164.04 164.58 22.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.827 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.17 142.73 32.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 62.9 tttt -100.3 126.33 46.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -103.14 175.83 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -41.01 -33.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -89.1 -51.67 5.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 163.88 -158.39 30.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 96.4 m-85 -79.21 144.85 34.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.379 . . . . 0.0 110.941 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -123.29 -98.22 1.34 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.491 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . 54.4 Cg_endo -69.73 125.05 11.71 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.405 ' HB1' ' HE ' ' A' ' 94' ' ' ARG . . . -111.8 138.68 48.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.4 m -107.88 138.1 44.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -110.53 132.51 54.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.487 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 13.6 tt -131.25 154.56 40.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -120.49 134.9 55.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -113.73 114.63 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.401 HD21 ' CD ' ' A' ' 88' ' ' ARG . 55.9 mt -81.99 103.64 11.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.23 0.105 0 CA-C-O 120.841 0.267 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.76 -179.56 2.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.48 143.98 27.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HG3' HG22 ' A' ' 95' ' ' ILE . 53.5 Cg_endo -69.74 133.75 26.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.0 t -117.54 172.81 7.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.3 m 63.9 48.3 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.8 t -80.07 109.95 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -106.08 133.78 50.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.6 mt -121.0 121.45 65.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.9 m -125.47 143.28 51.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -68.5 133.11 48.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -113.01 150.36 32.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.05 -27.53 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -94.85 -14.82 24.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.1 -108.49 0.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.47 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.649 HD12 HD21 ' A' ' 78' ' ' LEU . 61.3 mt -129.71 133.59 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 0.0 111.149 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -103.06 98.79 8.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.696 HD23 ' HZ3' ' A' ' 27' ' ' TRP . 1.9 tp -86.17 137.85 32.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 m -153.02 142.59 21.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.696 ' HZ3' HD23 ' A' ' 25' ' ' LEU . 48.2 p90 -149.18 172.71 14.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -111.21 150.1 41.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 160.61 49.07 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.396 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 132.56 23.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.725 2.283 . . . . 0.0 112.286 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mm . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.814 0.34 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.7 mt -38.49 -72.29 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -144.51 -175.45 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -120.92 167.54 12.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -156.7 133.27 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -114.67 143.38 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -128.59 159.1 36.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.788 HD21 ' HB2' ' A' ' 81' ' ' ALA . 16.1 tp -142.2 120.37 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.55 126.14 18.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.412 ' CG2' ' HG2' ' A' ' 61' ' ' MET . 14.0 pt -112.64 -176.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.0 t -94.76 120.42 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.558 ' CD2' ' HD2' ' A' ' 94' ' ' ARG . 77.3 m-85 -107.13 124.59 49.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.412 ' HG2' ' CG2' ' A' ' 46' ' ' ILE . 4.0 ptt? -120.01 145.07 47.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -65.87 129.64 40.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.682 HD12 HG22 ' A' ' 73' ' ' VAL . 27.8 pt -111.73 -30.31 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -125.04 137.23 54.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.2 p -124.32 124.37 42.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.22 -163.66 36.98 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.37 11.18 8.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.485 ' HD3' ' N ' ' A' ' 69' ' ' THR . 7.6 tmtm? -100.79 153.07 19.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.485 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 70.4 p -82.44 20.99 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 p -124.18 133.05 53.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -127.57 160.74 30.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.512 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 25.8 m -130.36 133.47 46.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.682 HG22 HD12 ' A' ' 63' ' ' ILE . 25.4 t -127.15 116.87 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.8 p -85.21 170.98 12.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.47 -60.69 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -40.39 -44.53 3.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -68.86 -44.65 72.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.854 0.359 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.649 HD21 HD12 ' A' ' 23' ' ' ILE . 20.0 mt -51.24 -41.8 60.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.41 -39.34 32.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -73.24 -21.51 60.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.788 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -58.9 116.15 3.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -72.81 120.58 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 76.9 mt -103.07 140.22 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 84' ' ' ASP . 4.0 t0 -97.57 95.04 7.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 86' ' ' THR . 37.2 m-85 -76.2 -32.18 58.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 85' ' ' TYR . 83.2 m -36.15 -62.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.2 p -89.81 -68.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.488 ' NE ' HD21 ' A' ' 112' ' ' LEU . 31.0 ttp180 -150.19 139.35 13.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.642 0.734 . . . . 0.0 110.831 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 88' ' ' ARG . 52.9 Cg_endo -69.81 92.7 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.265 . . . . 0.0 112.3 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.8 152.39 49.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.593 HG21 ' CZ ' ' A' ' 93' ' ' PHE . 79.8 mt -86.53 116.23 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.05 104.23 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.732 ' CE1' HD13 ' A' ' 44' ' ' LEU . 47.3 m-85 -98.46 174.99 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.558 ' HD2' ' CD2' ' A' ' 60' ' ' PHE . 16.7 mtt180 -150.88 130.06 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.565 HG22 ' HG3' ' A' ' 11' ' ' PRO . 20.0 mt -133.13 135.14 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.2 t -156.11 165.71 35.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.29 138.38 52.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.143 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 55.6 tttt -101.77 117.23 34.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -109.38 172.36 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -38.85 -36.17 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -77.03 -61.42 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 174.65 -166.0 37.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.503 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 15.9 m-85 -76.73 131.59 38.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.943 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -82.3 -158.2 22.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 132.26 23.04 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.262 . . . . 0.0 112.361 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -92.66 122.59 35.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 52.3 m -78.96 131.54 36.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -97.36 121.2 38.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 14.8 tt -126.4 133.12 69.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -108.95 114.98 29.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.506 ' HE3' HD12 ' A' ' 91' ' ' ILE . 24.6 t90 -103.58 102.82 12.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.488 HD21 ' NE ' ' A' ' 88' ' ' ARG . 24.0 mt -57.03 111.59 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.169 0 CA-C-O 120.862 0.276 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.07 139.29 5.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.484 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -73.73 157.5 87.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 0.0 111.053 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.484 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 54.5 Cg_endo -69.7 150.62 68.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 t -117.76 169.17 9.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m 49.62 51.67 16.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.16 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.498 HG22 ' CB ' ' A' ' 27' ' ' TRP . 90.2 t -91.09 108.86 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -122.27 155.61 35.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.595 HG12 HD12 ' A' ' 25' ' ' LEU . 77.0 mt -122.07 121.16 63.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.6 t -111.66 143.8 41.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -80.39 115.68 20.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -92.77 162.59 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 m -69.9 -15.4 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -101.16 -23.98 14.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.67 -103.32 0.19 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.477 ' CD1' HD11 ' A' ' 78' ' ' LEU . 62.8 mt -129.55 144.59 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 111.169 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -118.67 98.97 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.595 HD12 HG12 ' A' ' 16' ' ' ILE . 1.5 tp -86.16 120.04 27.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 m -130.47 155.6 46.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.498 ' CB ' HG22 ' A' ' 14' ' ' VAL . 49.4 p90 -158.46 -179.26 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -128.16 153.39 78.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.667 0.746 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 146.57 60.23 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.25 . . . . 0.0 112.352 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 118.08 5.47 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.709 2.272 . . . . 0.0 112.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.3 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.817 0.341 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.3 mt -91.65 169.23 10.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -43.45 155.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -98.87 164.47 12.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 t -151.16 121.35 7.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.803 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -100.03 146.7 26.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 3.9 m-85 -132.3 163.55 28.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.971 HD13 ' CE1' ' A' ' 93' ' ' PHE . 49.0 tp -137.67 131.33 31.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.93 117.95 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.633 HD13 ' HG2' ' A' ' 61' ' ' MET . 8.5 pt -126.99 -175.61 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.99 117.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -90.99 141.27 29.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.633 ' HG2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -125.32 141.55 52.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -54.26 136.67 42.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.455 HD12 HG22 ' A' ' 73' ' ' VAL . 22.0 pt -126.63 -11.17 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.449 ' CD2' ' HB2' ' A' ' 71' ' ' CYS . 3.3 t80 -155.29 139.26 16.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.0 p -125.92 114.0 17.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.04 161.52 25.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.744 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.1 pt? -85.09 -8.42 58.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -68.04 148.59 50.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.9 p -89.52 36.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -165.9 156.31 12.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.449 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 18.2 p -155.79 171.98 19.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.8 m -122.98 130.79 53.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.455 HG22 HD12 ' A' ' 63' ' ' ILE . 86.4 t -115.51 106.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.6 p -71.06 172.21 9.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.68 -48.15 82.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -43.2 -45.95 6.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.409 ' OE1' HG13 ' A' ' 73' ' ' VAL . 73.3 mt-30 -65.18 -40.81 94.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' A' ' 23' ' ' ILE . 14.0 mt -58.71 -28.74 66.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.5 -28.19 68.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -92.78 -12.96 29.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.945 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -67.18 128.91 38.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -86.94 137.98 31.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 98.2 mt -109.83 136.62 45.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -87.06 100.13 12.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.43 ' CE1' ' HB3' ' A' ' 89' ' ' PRO . 33.8 m-85 -99.12 35.34 1.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.8 p -94.72 -52.21 4.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.3 m -119.09 -45.32 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.504 ' CD ' HD21 ' A' ' 112' ' ' LEU . 16.4 ttm180 -148.95 128.38 6.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.43 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.75 91.21 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.242 . . . . 0.0 112.381 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.615 ' HB2' HD23 ' A' ' 112' ' ' LEU . . . -141.69 146.92 36.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.7 mt -86.27 134.88 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.9 t -102.21 142.01 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.971 ' CE1' HD13 ' A' ' 44' ' ' LEU . 30.0 m-85 -132.17 170.81 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.53 ' HE ' ' HB1' ' A' ' 106' ' ' ALA . 0.5 OUTLIER -145.41 141.26 28.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.494 HD11 HD21 ' A' ' 25' ' ' LEU . 47.7 mt -146.9 126.67 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.0 173.42 14.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.57 ' C ' ' CD2' ' A' ' 103' ' ' TYR . . . -125.35 149.12 48.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 103' ' ' TYR . 18.4 ttmt -86.59 137.26 32.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 99' ' ' ASN . 18.7 t-20 -88.64 -74.55 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -129.15 -49.71 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.45 -29.28 5.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -150.02 -173.36 20.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.57 ' CD2' ' C ' ' A' ' 97' ' ' ALA . 1.8 m-85 -98.38 177.27 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.936 0.398 . . . . 0.0 110.897 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -115.45 -119.32 3.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 127.2 14.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.638 2.225 . . . . 0.0 112.335 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.53 ' HB1' ' HE ' ' A' ' 94' ' ' ARG . . . -99.98 123.72 44.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.084 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.48 151.42 39.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -129.91 111.44 12.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.9 tt -112.79 153.86 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -122.46 112.68 18.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -97.73 84.79 3.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.615 HD23 ' HB2' ' A' ' 90' ' ' ALA . 18.9 mt -59.41 97.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 89' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.525 ' HB2' ' HB3' ' A' ' 97' ' ' ALA . 53.5 Cg_endo . . . . . 0 C--O 1.23 0.118 0 CA-C-O 120.842 0.267 . . . . 0.0 112.367 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.22 134.77 12.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.39 150.31 82.39 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.582 0.706 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.506 ' HB3' ' CD1' ' A' ' 27' ' ' TRP . 53.8 Cg_endo -69.71 128.12 15.62 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.362 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.9 t -110.37 170.56 8.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 m 56.44 48.19 17.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.601 HG22 ' CB ' ' A' ' 27' ' ' TRP . 99.1 t -80.02 120.46 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -121.81 142.59 50.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.654 HD12 ' HB2' ' A' ' 111' ' ' TRP . 7.8 mt -118.65 119.79 62.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 t -113.35 138.15 50.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -77.04 116.71 17.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -101.03 157.18 16.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -61.7 -25.66 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -90.39 -18.36 25.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.97 -111.89 0.5 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.779 HD12 HD21 ' A' ' 78' ' ' LEU . 64.8 mt -129.66 133.76 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 111.124 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -108.46 99.87 9.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.716 HD21 HD11 ' A' ' 95' ' ' ILE . 2.0 tp -79.04 131.55 36.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.0 m -141.2 149.56 41.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.601 ' CB ' HG22 ' A' ' 14' ' ' VAL . 47.5 p90 -155.58 169.74 23.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -110.7 148.23 38.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 157.08 61.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 151.84 69.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.709 HG21 ' CZ ' ' A' ' 40' ' ' TYR . 5.3 mm . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.849 0.357 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.4 mt -44.21 -60.34 1.95 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -150.71 174.18 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.709 ' CZ ' HG21 ' A' ' 37' ' ' ILE . 90.0 m-85 -123.86 165.47 17.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -157.94 139.39 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.533 ' C ' ' CD1' ' A' ' 43' ' ' TYR . . . -112.45 156.76 22.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.07 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.533 ' CD1' ' C ' ' A' ' 42' ' ' ALA . 1.6 m-85 -143.94 151.81 40.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.966 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.013 HD13 ' CE1' ' A' ' 93' ' ' PHE . 13.5 tp -128.99 130.31 46.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.631 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -64.47 135.31 55.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.11 178.09 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 59' ' ' VAL . 7.4 p -80.79 119.68 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.631 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 52.8 m-85 -104.99 115.18 29.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -94.25 137.97 32.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -63.05 135.86 57.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.3 pt -125.53 -4.26 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -149.33 133.6 17.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.4 p -125.86 109.58 12.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.06 -178.61 48.84 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.71 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.2 pt? -105.55 -8.26 18.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.93 0.395 . . . . 0.0 110.915 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -68.27 147.22 52.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.7 p -94.28 36.23 1.15 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.8 p -163.78 125.24 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.5 p -133.04 171.15 14.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.0 m -124.96 130.79 53.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.8 t -104.39 117.65 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 64.9 p -77.1 164.54 25.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.67 98.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.63 -36.79 25.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -80.3 -38.88 29.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.779 HD21 HD12 ' A' ' 23' ' ' ILE . 37.6 mt -56.02 -39.42 71.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.63 -38.16 59.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -80.65 -15.73 55.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.658 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -61.11 114.4 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.064 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -78.65 119.29 21.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.7 mt -90.89 128.67 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -73.37 113.53 10.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -107.46 31.49 5.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.7 t -102.35 -28.6 12.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.193 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 m -132.59 -48.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.8 mtm-85 -152.52 127.92 4.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.582 0.706 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 81.77 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.67 2.247 . . . . 0.0 112.319 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.412 ' HB1' ' C ' ' A' ' 111' ' ' TRP . . . -136.95 166.24 24.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.0 mt -86.13 120.34 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 97.8 t -92.89 124.58 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 1.013 ' CE1' HD13 ' A' ' 44' ' ' LEU . 36.8 m-85 -114.9 166.05 12.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.409 ' CG ' ' CE2' ' A' ' 60' ' ' PHE . 21.1 mmt180 -142.43 119.77 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.716 HD11 HD21 ' A' ' 25' ' ' LEU . 16.4 mt -128.61 144.45 37.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.1 t -156.14 174.21 15.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.527 ' HB1' HG23 ' A' ' 37' ' ' ILE . . . -111.79 158.8 18.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.545 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 19.8 tttp -111.05 132.45 54.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 100' ' ' GLU . 39.7 m-20 -122.59 166.12 15.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' ASN . 22.5 tt0 -36.44 -38.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 102' ' ' GLY . 1.0 OUTLIER -85.22 -52.66 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.4 ' N ' ' HG3' ' A' ' 101' ' ' LYS . . . 161.95 -159.57 31.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.545 ' CE1' ' HG3' ' A' ' 98' ' ' LYS . 88.0 m-85 -85.11 158.03 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.944 0.402 . . . . 0.0 110.955 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -143.17 -95.06 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.422 ' CG ' ' O ' ' A' ' 8' ' ' PRO . 54.5 Cg_endo -69.68 125.4 12.14 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.68 2.253 . . . . 0.0 112.39 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.07 158.35 21.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.13 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.1 m -118.45 132.74 56.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -113.12 130.56 56.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.41 ' CG1' ' N ' ' A' ' 110' ' ' ARG . 16.0 tt -121.16 162.86 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.41 ' N ' ' CG1' ' A' ' 109' ' ' ILE . 52.2 mtt180 -129.9 104.74 7.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.654 ' HB2' HD12 ' A' ' 16' ' ' ILE . 8.8 t90 -101.2 104.4 15.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.0 123.11 22.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.12 0 CA-C-O 120.862 0.276 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.57 -167.38 39.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.456 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.443 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -103.04 155.88 36.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.443 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 53.5 Cg_endo -69.74 124.22 10.88 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.32 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -110.13 159.97 16.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 m 63.89 44.83 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.4 t -83.37 105.59 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -106.6 150.14 26.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.7 mt -132.1 134.26 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -135.02 124.22 24.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -68.98 126.06 28.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -107.87 164.85 11.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.0 t -61.65 -41.79 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -71.41 -29.0 64.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.72 -117.83 0.68 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.701 HD12 HD21 ' A' ' 78' ' ' LEU . 65.6 mt -125.59 143.11 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -111.4 114.15 27.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tp -104.78 124.55 49.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.4 p -131.75 146.78 52.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.46 ' NE1' ' HA ' ' A' ' 69' ' ' THR . 49.4 p90 -147.25 -176.24 5.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -147.75 155.03 44.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 157.42 60.47 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -49.54 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 38' ' ' LEU . 83.3 mt . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.818 0.342 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 37' ' ' ILE . 84.6 mt -34.36 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -146.48 156.79 43.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -97.61 169.04 9.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.2 t -143.29 136.07 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.75 110.49 16.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -96.56 152.6 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 81' ' ' ALA . 8.9 tp -134.44 106.4 7.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.673 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -35.98 132.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 44' ' ' LEU . 34.4 pt -126.34 139.18 52.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' N ' ' HB2' ' A' ' 82' ' ' HIS . 5.1 tmm_? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.846 0.355 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.2 t -85.34 135.53 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.673 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 44.5 m-85 -116.48 141.38 48.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -128.82 153.29 47.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -76.33 127.05 32.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 64' ' ' TYR . 43.1 pt -111.92 -36.14 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.468 ' N ' HG13 ' A' ' 63' ' ' ILE . 11.9 t80 -125.13 135.25 52.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.4 p -127.93 121.68 30.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 168.25 -170.82 42.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.65 18.18 8.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' SER . 20.9 tptt -77.17 8.38 4.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.46 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 3.4 p 41.61 24.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' LYS . 87.3 p -171.76 144.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 64' ' ' TYR . 15.2 p -150.63 172.01 16.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.8 m -124.75 131.75 53.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.103 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.4 t -107.06 135.73 44.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.0 p -98.15 171.9 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -59.53 -54.33 47.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.057 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.15 -57.07 1.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -66.62 -43.1 85.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.949 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.701 HD21 HD12 ' A' ' 23' ' ' ILE . 13.6 mt -47.48 -44.9 25.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.89 -39.39 18.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -71.71 -26.66 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.67 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -56.45 141.27 43.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 2.5 t60 -93.3 116.18 28.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 86.6 mt -94.01 126.22 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -86.02 120.99 28.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.463 ' CE1' ' HB3' ' A' ' 89' ' ' PRO . 55.5 m-85 -114.09 40.19 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.1 m -87.37 -58.9 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.8 p -113.8 -45.45 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -147.19 132.68 9.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.463 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.81 97.31 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.658 ' HB2' HD23 ' A' ' 112' ' ' LEU . . . -141.9 155.53 45.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.7 mt -88.3 139.25 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.3 t -95.17 140.87 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.503 ' CE1' HD13 ' A' ' 44' ' ' LEU . 48.3 m-85 -139.07 146.84 41.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -131.41 135.89 47.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 32.1 mt -140.9 143.12 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.8 p -152.65 174.96 13.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -127.11 131.37 50.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -111.51 131.96 54.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -102.01 -71.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -130.97 -59.0 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -65.9 -58.95 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -175.48 -156.05 13.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -93.2 146.62 23.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.922 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.09 -133.71 2.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 133.66 26.11 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.704 2.269 . . . . 0.0 112.383 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.93 122.63 43.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 89.3 m -84.98 137.17 33.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -109.86 118.38 36.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.4 tt -119.51 141.46 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -109.57 93.87 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 22.8 t90 -75.71 118.13 18.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.658 HD23 ' HB2' ' A' ' 90' ' ' ALA . 71.2 mt -74.93 121.05 21.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.916 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.114 0 CA-C-O 120.88 0.283 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.55 152.88 0.32 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.88 152.29 50.95 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.592 0.71 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.403 ' HG3' HG22 ' A' ' 95' ' ' ILE . 54.2 Cg_endo -69.76 153.53 68.82 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.0 m -135.83 158.92 43.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 m 70.24 45.06 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.6 t -74.21 130.58 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -132.38 131.44 41.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.8 mt -114.45 132.85 62.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.1 m -123.49 127.55 48.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -67.64 127.07 31.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -111.96 145.24 39.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.7 t -51.45 -40.55 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -72.52 -29.83 63.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.63 -121.41 0.87 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.762 HD12 HD21 ' A' ' 78' ' ' LEU . 79.7 mt -118.4 141.47 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -118.26 102.82 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.718 HD21 HD11 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -87.33 141.56 28.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -150.25 161.54 42.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.477 ' CE2' ' HA ' ' A' ' 69' ' ' THR . 41.5 p90 -170.97 171.57 5.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -117.42 149.98 45.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.602 0.715 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 159.95 51.52 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.663 2.242 . . . . 0.0 112.364 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 159.36 53.67 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.323 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.5 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.86 0.362 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.3 mt -52.84 -66.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.426 ' HG3' HD22 ' A' ' 67' ' ' LEU . 24.2 mp0 -148.68 166.78 27.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -103.96 164.77 11.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 t -143.88 149.02 36.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.25 115.87 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -103.03 145.67 29.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.967 HD21 ' HB2' ' A' ' 81' ' ' ALA . 11.1 tp -129.91 115.7 17.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . . . -55.44 135.14 50.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.541 HD12 ' HG2' ' A' ' 61' ' ' MET . 0.2 OUTLIER -121.71 152.04 25.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.408 ' HD2' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.573 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 15.2 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.819 0.342 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.8 t -80.0 136.52 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CE1' ' O ' ' A' ' 58' ' ' LEU . 19.9 m-85 -118.62 140.81 49.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.541 ' HG2' HD12 ' A' ' 46' ' ' ILE . 5.0 ptt? -106.46 145.56 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -73.41 120.32 18.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 64' ' ' TYR . 41.6 pt -107.26 -37.8 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.51 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.7 t80 -130.0 137.72 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.3 t -129.11 106.87 9.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.31 159.26 22.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.479 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.56 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -93.16 21.84 5.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.903 0.382 . . . . 0.0 110.975 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -75.53 7.3 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.477 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 25.4 p 43.78 26.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.1 m -159.31 155.45 26.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.491 ' SG ' ' CD1' ' A' ' 64' ' ' TYR . 68.5 m -144.3 169.86 17.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.6 m -135.91 123.82 22.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.612 HG12 ' HG ' ' A' ' 78' ' ' LEU . 73.7 t -124.21 121.4 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 48.0 p -101.78 175.1 5.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -47.12 -54.46 10.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.69 -62.62 0.79 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -66.87 -45.84 76.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.762 HD21 HD12 ' A' ' 23' ' ' ILE . 23.7 mt -44.83 -45.26 10.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.0 -39.56 20.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -72.44 -28.84 63.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.967 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -71.03 137.01 48.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.557 ' CD2' ' OD1' ' A' ' 84' ' ' ASP . 7.4 p-80 -81.08 146.33 30.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 50.1 mm -108.6 106.45 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.557 ' OD1' ' CD2' ' A' ' 82' ' ' HIS . 7.1 m-20 -74.2 97.65 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 87' ' ' SER . 33.5 m-85 -83.94 20.87 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.964 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.6 m -59.13 78.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 85' ' ' TYR . 1.1 t 53.59 25.04 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.441 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 34.9 ttm180 -178.98 104.99 0.2 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.708 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.4 Cg_endo -69.79 94.79 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 112' ' ' LEU . . . -142.22 173.19 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.3 mt -111.97 133.7 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.8 HG13 ' CD ' ' A' ' 108' ' ' GLN . 57.5 t -90.88 121.08 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.583 ' CE1' HD13 ' A' ' 44' ' ' LEU . 54.6 m-85 -117.67 155.67 29.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.448 ' C ' HG13 ' A' ' 95' ' ' ILE . 9.7 ttt180 -133.16 136.93 46.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.718 HD11 HD21 ' A' ' 25' ' ' LEU . 30.3 mt -143.13 134.08 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.5 t -148.48 165.13 32.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.24 140.07 38.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 39.4 tttp -98.32 130.82 44.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.451 ' ND2' ' HB2' ' A' ' 101' ' ' LYS . 16.0 p-10 -127.37 169.03 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' ASN . 15.6 mt-10 -37.73 -40.03 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.451 ' HB2' ' ND2' ' A' ' 99' ' ' ASN . 0.5 OUTLIER -68.16 -63.12 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 176.96 -97.04 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 25.3 m-85 -141.33 122.46 14.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.391 . . . . 0.0 110.938 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.38 -151.67 3.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 127.53 14.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -89.28 153.82 20.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.067 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.3 m -116.62 135.55 53.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.8 ' CD ' HG13 ' A' ' 92' ' ' VAL . 0.2 OUTLIER -107.21 145.97 31.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.1 tt -145.12 144.4 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.416 HH11 ' NE2' ' A' ' 108' ' ' GLN . 0.8 OUTLIER -106.99 117.14 33.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 26.3 t90 -107.87 98.28 7.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 90' ' ' ALA . 3.8 mt -44.55 126.27 5.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.449 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 53.9 Cg_endo . . . . . 0 N--CA 1.467 -0.085 0 CA-C-O 120.871 0.279 . . . . 0.0 112.355 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -41.2 148.02 0.31 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.5 147.22 87.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.621 0.724 . . . . 0.0 111.081 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 153.72 68.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.2 t -128.33 160.03 33.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 13' ' ' THR . 7.5 m 71.44 44.38 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.149 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.99 108.43 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -107.27 142.67 36.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.678 HG12 HD12 ' A' ' 25' ' ' LEU . 79.1 mt -125.93 143.33 39.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.5 m -150.26 119.11 6.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -66.42 131.13 45.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -113.59 169.09 9.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.5 m -62.68 -29.87 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.18 -28.59 29.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.24 -113.53 0.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.59 HD11 HD11 ' A' ' 78' ' ' LEU . 54.9 mt -122.15 139.84 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.113 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -112.73 96.98 6.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.678 HD12 HG12 ' A' ' 16' ' ' ILE . 1.7 tp -89.33 151.03 22.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.7 t -154.28 162.65 41.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 43.5 p90 -167.94 163.27 13.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -106.22 147.94 35.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.648 0.737 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 153.09 69.38 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.736 2.29 . . . . 0.0 112.326 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 98.49 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.709 2.272 . . . . 0.0 112.365 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 38' ' ' LEU . 50.2 mm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.867 0.365 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 37' ' ' ILE . 76.2 mt -34.12 -56.27 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -169.52 176.47 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -111.83 167.96 9.95 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -158.05 145.76 18.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.58 131.23 52.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -115.45 146.36 41.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.764 HD13 ' CE1' ' A' ' 93' ' ' PHE . 37.0 tp -122.81 110.23 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.854 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -48.77 124.04 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.036 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.59 HG23 ' O ' ' A' ' 44' ' ' LEU . 46.7 pt -123.84 139.54 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.491 ' N ' ' HB2' ' A' ' 82' ' ' HIS . 12.2 ptm180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.4 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.809 0.337 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.3 t -119.97 98.82 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.854 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 19.8 m-85 -94.12 157.61 16.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -142.59 144.21 32.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -65.25 121.52 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 64' ' ' TYR . 32.6 pt -106.41 -35.48 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.469 ' N ' HG13 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -125.15 147.5 49.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.5 p -129.02 123.42 32.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.16 176.42 40.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.426 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -106.25 15.32 26.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.919 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -79.27 160.73 26.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.3 p -103.39 12.99 34.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.8 m -161.87 123.75 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 23.5 p -124.38 172.26 9.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.6 m -122.91 127.32 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.193 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 91.5 t -102.1 136.38 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.5 p -95.0 166.16 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -63.48 -52.02 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.78 -42.28 0.49 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -76.48 -45.08 32.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.59 HD11 HD11 ' A' ' 23' ' ' ILE . 13.9 mt -43.42 -44.09 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.76 -43.48 48.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -72.61 -26.42 61.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.521 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -59.35 144.82 45.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.491 ' HB2' ' N ' ' A' ' 47' ' ' ARG . 10.9 t60 -84.9 145.08 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.1 mm -113.47 100.08 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -74.64 98.27 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.55 ' O ' ' N ' ' A' ' 87' ' ' SER . 32.6 m-85 -83.19 18.98 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 66.0 m -56.24 77.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 85' ' ' TYR . 16.4 m 53.21 25.0 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.961 ' HG2' HD21 ' A' ' 112' ' ' LEU . 22.2 ttt180 -178.31 105.01 0.21 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.613 0.721 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.8 Cg_endo -69.74 96.03 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.638 2.225 . . . . 0.0 112.347 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.598 ' HB2' HD23 ' A' ' 112' ' ' LEU . . . -141.13 168.42 19.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 71.0 mt -103.84 132.47 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.639 HG12 ' HE2' ' A' ' 60' ' ' PHE . 66.7 t -88.1 139.32 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.764 ' CE1' HD13 ' A' ' 44' ' ' LEU . 26.7 m-85 -136.93 166.72 22.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.524 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 45.4 mtt-85 -158.09 126.53 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.642 HD11 HD21 ' A' ' 25' ' ' LEU . 17.7 mt -125.98 137.05 58.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 t -145.79 164.59 31.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.449 ' O ' ' CG ' ' A' ' 8' ' ' PRO . . . -123.79 166.17 16.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -109.99 141.55 42.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -117.08 -71.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -134.88 -59.21 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -80.91 -52.21 7.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -169.98 -129.77 1.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 97' ' ' ALA . 27.7 m-85 -113.54 156.61 23.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.912 0.387 . . . . 0.0 110.946 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.93 -112.62 2.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 131.61 21.54 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.254 . . . . 0.0 112.342 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.76 132.59 52.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.7 m -82.45 113.35 20.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -95.03 148.46 22.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.2 tt -159.6 148.97 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -119.31 105.04 10.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -87.37 108.39 18.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.961 HD21 ' HG2' ' A' ' 88' ' ' ARG . 14.3 mt -61.08 111.81 1.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.938 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.159 0 CA-C-O 120.812 0.255 . . . . 0.0 112.387 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.45 143.63 17.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.57 153.07 85.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 135.58 30.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -115.71 172.58 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.51 HG22 ' HD2' ' A' ' 15' ' ' ARG . 6.9 m 47.83 51.55 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -79.81 121.12 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.51 ' HD2' HG22 ' A' ' 13' ' ' THR . 0.6 OUTLIER -108.68 148.9 29.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.465 HD12 ' HB2' ' A' ' 111' ' ' TRP . 22.3 mt -134.55 125.89 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -137.59 117.31 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -65.52 134.5 53.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.956 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -105.0 161.78 13.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 20' ' ' VAL . 51.3 t -60.63 -9.99 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -108.07 -1.78 20.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.93 -120.3 1.3 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.707 HD12 HD11 ' A' ' 78' ' ' LEU . 96.6 mt -123.63 143.92 35.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.89 0.376 . . . . 0.0 111.109 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -124.57 105.58 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.552 HD21 HD11 ' A' ' 95' ' ' ILE . 2.6 tp -86.59 130.01 34.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.7 p -134.33 160.45 37.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 26.5 p90 -169.82 175.62 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -119.93 148.7 47.2 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.491 ' HD3' HG21 ' A' ' 69' ' ' THR . 53.9 Cg_endo -69.72 142.45 48.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.727 2.285 . . . . 0.0 112.357 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 147.93 64.38 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.799 HD12 ' HB1' ' A' ' 97' ' ' ALA . 42.4 mm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.9 mt -43.86 -56.51 3.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -152.84 178.74 9.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.598 ' CZ ' HG21 ' A' ' 37' ' ' ILE . 87.5 m-85 -129.04 166.68 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.6 p -163.68 147.88 10.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -116.2 162.34 17.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -143.68 159.85 41.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.098 HD21 ' HB2' ' A' ' 81' ' ' ALA . 12.7 tp -146.78 136.66 23.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.849 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -78.41 127.13 31.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.704 HD13 ' H ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -132.72 147.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.6 ptt85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.424 HD22 ' HB1' ' A' ' 45' ' ' ALA . 11.3 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.868 0.366 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.1 t -106.94 118.0 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.849 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 27.4 m-85 -102.34 135.78 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -114.74 149.44 36.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -71.15 112.75 7.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.2 pt -101.09 -12.41 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.47 ' CD2' ' HB2' ' A' ' 71' ' ' CYS . 18.8 t80 -149.48 132.29 16.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.5 t -128.49 102.63 6.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -172.08 166.63 39.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.801 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -83.44 -28.4 28.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.99 140.43 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.491 HG21 ' HD3' ' A' ' 29' ' ' PRO . 40.2 p -88.84 40.84 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 92.1 p -169.05 128.04 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 19.7 p -129.62 171.53 12.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.0 m -126.74 137.45 53.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.3 t -112.37 121.11 64.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.2 p -82.68 152.63 25.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -46.78 -54.42 9.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.06 -37.01 7.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -72.05 -47.13 53.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 110.933 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.707 HD11 HD12 ' A' ' 23' ' ' ILE . 19.0 mt -52.29 -43.59 64.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.89 -38.69 10.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -73.07 -26.35 61.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 1.098 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -65.68 143.07 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -94.64 146.59 24.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.9 mt -113.47 117.72 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -72.8 114.93 11.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -106.33 38.12 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.5 m -90.23 -58.32 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.0 t -121.26 -48.02 2.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.486 ' NE ' HD11 ' A' ' 112' ' ' LEU . 2.6 ttt85 -139.2 123.99 11.55 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 83.87 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.427 ' HB2' HD22 ' A' ' 112' ' ' LEU . . . -128.09 164.64 21.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.092 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 88.2 mt -89.85 131.7 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.0 t -90.62 106.19 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -101.12 160.46 14.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.44 ' HG3' ' CD2' ' A' ' 60' ' ' PHE . 24.5 mmt180 -140.06 125.53 19.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.552 HD11 HD21 ' A' ' 25' ' ' LEU . 14.5 mt -135.97 141.73 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.7 t -142.95 -178.09 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.799 ' HB1' HD12 ' A' ' 37' ' ' ILE . . . -132.32 138.67 47.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -84.36 142.42 30.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -112.17 -61.38 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -123.73 -64.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -124.01 -23.99 4.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.33 -169.79 12.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -114.97 161.34 18.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.949 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -86.15 -141.92 6.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 140.35 42.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 2.249 . . . . 0.0 112.306 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.66 125.17 45.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 99.0 m -79.33 137.37 37.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.185 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -109.69 118.61 37.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.1 tt -118.22 154.35 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -122.28 98.91 6.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.465 ' HB2' HD12 ' A' ' 16' ' ' ILE . 34.1 t90 -91.64 117.03 29.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.486 HD11 ' NE ' ' A' ' 88' ' ' ARG . 0.5 OUTLIER -53.75 101.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.951 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.435 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.81 0.254 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.11 162.22 12.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.514 ' HB1' ' OG1' ' A' ' 107' ' ' THR . . . -88.15 145.57 36.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.556 0.693 . . . . 0.0 111.119 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.459 ' HG3' HG22 ' A' ' 95' ' ' ILE . 53.7 Cg_endo -69.81 144.46 53.82 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.72 2.28 . . . . 0.0 112.299 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.4 p -132.18 166.85 20.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 13' ' ' THR . 17.9 m 65.62 40.1 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 26' ' ' SER . 99.0 t -70.93 134.91 29.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -130.71 141.76 50.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.7 mt -128.73 120.91 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 t -118.33 155.07 31.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.3 127.2 32.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -105.04 147.98 27.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.6 t -54.59 -39.16 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.454 ' OD2' HG22 ' A' ' 74' ' ' THR . 18.7 t0 -79.77 -28.04 40.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.43 -101.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.602 HD12 HD21 ' A' ' 78' ' ' LEU . 58.8 mt -126.4 140.07 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 111.089 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -110.97 100.61 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tp -85.04 141.03 30.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.476 ' O ' HG13 ' A' ' 14' ' ' VAL . 1.3 t -147.49 162.49 38.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.4 p90 -165.8 177.59 7.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -125.37 154.85 72.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.674 0.749 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 148.34 64.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 148.03 64.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.385 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 31' ' ' THR . 2.0 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.4 mm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.849 0.357 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 39' ' ' GLU . 11.6 mt -76.27 175.77 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' LEU . 8.0 mp0 -37.19 153.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -95.49 169.02 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 t -135.79 123.43 22.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.816 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.2 120.12 41.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -109.47 163.69 13.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.898 HD21 ' HB2' ' A' ' 81' ' ' ALA . 10.4 tp -145.21 119.37 9.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 1.056 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -54.2 128.9 32.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.471 HG22 ' HA ' ' A' ' 81' ' ' ALA . 2.9 pp -140.2 176.9 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.888 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.1 t -84.16 113.91 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 1.056 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 5.0 m-85 -95.4 155.73 16.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.79 127.59 37.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 62' ' ' ARG . 7.4 tmm_? -49.92 126.53 14.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 64' ' ' TYR . 25.7 pt -108.61 -33.15 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.472 ' N ' HG13 ' A' ' 63' ' ' ILE . 9.8 t80 -137.22 136.07 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 16.2 p -127.9 88.2 2.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.426 ' N ' ' CE1' ' A' ' 64' ' ' TYR . . . -150.22 167.41 30.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.487 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.573 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.3 pt? -84.8 -34.73 22.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.46 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -45.32 148.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.842 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.8 p -92.05 39.21 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -158.58 125.01 4.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 72' ' ' THR . 0.5 OUTLIER -121.38 161.0 22.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.517 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 50.7 m -126.83 144.11 51.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -128.02 140.38 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.454 HG22 ' OD2' ' A' ' 21' ' ' ASP . 61.8 p -111.11 169.5 8.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.94 -51.12 71.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.87 -40.52 1.08 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -85.49 -48.63 8.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.602 HD21 HD12 ' A' ' 23' ' ' ILE . 19.8 mt -41.11 -52.72 3.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.36 -39.66 7.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -71.06 -27.87 63.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.898 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -61.22 133.78 56.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -72.63 104.75 4.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.4 mm -76.8 104.29 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.57 94.85 2.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.463 ' O ' ' N ' ' A' ' 87' ' ' SER . 14.2 m-85 -81.36 10.36 5.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 60.8 p -52.07 86.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' TYR . 17.0 m 44.6 24.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.674 ' CG ' HD21 ' A' ' 112' ' ' LEU . 20.1 ttm180 -178.37 105.02 0.21 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.725 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 90.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.73 172.09 13.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 84.8 mt -114.99 142.16 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 76.7 t -102.3 121.38 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.489 ' CE1' HD13 ' A' ' 44' ' ' LEU . 56.4 m-85 -112.01 166.74 10.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.486 ' HG3' ' CD2' ' A' ' 60' ' ' PHE . 15.7 mmt180 -141.34 136.05 31.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.459 HG22 ' HG3' ' A' ' 11' ' ' PRO . 35.1 mt -142.92 134.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.4 m -150.02 162.04 41.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.32 155.65 18.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.091 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.525 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 23.1 tttp -118.12 127.06 53.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.435 ' ND2' ' HB3' ' A' ' 8' ' ' PRO . 11.9 m-20 -121.12 169.4 10.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 99' ' ' ASN . 5.4 mm-40 -36.79 -40.65 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -72.2 -62.4 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 171.71 -117.19 0.66 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.525 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 73.4 m-85 -126.12 135.63 51.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.385 . . . . 0.0 110.926 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -104.32 -121.42 4.92 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 136.15 32.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -101.4 145.16 29.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.514 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 62.8 m -109.91 133.97 52.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -116.51 155.5 28.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.3 tt -154.69 149.44 12.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 43.5 mtm-85 -112.39 131.38 55.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -126.09 100.89 6.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.674 HD21 ' CG ' ' A' ' 88' ' ' ARG . 7.1 mt -52.04 128.32 24.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.943 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.125 0 CA-C-O 120.843 0.268 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.93 164.72 12.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.47 154.52 37.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.5 ' HG3' HG22 ' A' ' 95' ' ' ILE . 53.7 Cg_endo -69.8 121.11 7.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.258 . . . . 0.0 112.313 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 t -106.62 164.38 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 13' ' ' THR . 7.7 m 66.17 38.45 4.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.401 HG22 ' CB ' ' A' ' 27' ' ' TRP . 93.3 t -79.0 110.27 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -119.43 133.14 55.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.7 mt -112.78 123.23 68.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.5 m -117.07 124.78 50.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -69.63 119.98 14.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -101.24 149.31 24.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -53.14 -38.91 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -75.48 -29.91 59.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.85 -127.36 1.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.638 HD12 HD21 ' A' ' 78' ' ' LEU . 57.2 mt -116.32 138.41 46.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 111.186 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -115.64 100.22 7.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.537 HD21 HD11 ' A' ' 95' ' ' ILE . 1.2 tp -83.86 141.9 30.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 m -151.62 157.51 42.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.512 ' CE2' ' HA ' ' A' ' 69' ' ' THR . 49.1 p90 -164.32 178.22 7.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -129.69 155.86 79.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.5 69.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.707 2.272 . . . . 0.0 112.376 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 31' ' ' THR . 53.3 Cg_endo -69.76 -162.72 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.505 HG21 ' CE1' ' A' ' 40' ' ' TYR . 25.3 mm . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.851 0.358 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.8 mt -80.68 -55.95 4.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -168.16 166.39 12.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.505 ' CE1' HG21 ' A' ' 37' ' ' ILE . 82.7 m-85 -114.91 167.67 10.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.9 p -162.77 144.74 10.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.51 140.11 39.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -121.2 162.89 19.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 81' ' ' ALA . 19.0 tp -147.4 119.58 8.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.637 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . . . -60.6 120.45 10.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.804 ' O ' HD12 ' A' ' 46' ' ' ILE . 2.4 pp -138.91 140.89 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.923 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.899 0.381 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.6 m -78.74 144.73 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.637 ' CZ ' ' HB2' ' A' ' 45' ' ' ALA . 4.0 m-85 -123.42 145.25 48.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.473 ' CE ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -123.35 140.34 53.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -62.78 126.94 29.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 64' ' ' TYR . 40.8 pt -104.72 -35.99 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.525 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -143.92 145.56 32.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.2 p -129.04 123.92 33.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.59 164.19 20.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.587 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -95.79 18.47 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 70' ' ' SER . 35.2 tttt -74.99 5.48 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.512 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 63.6 p 38.27 26.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 68' ' ' LYS . 1.0 OUTLIER -166.84 153.82 8.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.875 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 19.6 p -158.45 172.07 19.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.9 m -127.25 124.23 38.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.2 t -110.18 123.42 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.9 p -98.65 170.94 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -46.86 -51.35 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.59 -66.37 0.39 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.468 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -61.4 -43.32 99.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.921 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.638 HD21 HD12 ' A' ' 23' ' ' ILE . 20.1 mt -49.27 -44.3 43.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.02 -38.88 18.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.042 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -72.64 -25.8 61.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.734 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -58.18 142.3 47.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -106.29 109.1 20.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.3 133.81 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.07 99.61 6.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -93.14 42.96 1.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.4 p -98.86 -48.67 4.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.2 m -129.75 -48.06 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.594 ' CD ' HD21 ' A' ' 112' ' ' LEU . 13.6 ttm180 -138.84 121.64 10.68 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.59 0.709 . . . . 0.0 110.841 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 93.54 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.882 ' HB2' HD23 ' A' ' 112' ' ' LEU . . . -139.89 157.6 45.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.1 mt -91.79 126.34 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.1 t -94.59 121.75 45.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -108.86 171.42 7.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.606 ' HD2' ' HB1' ' A' ' 106' ' ' ALA . 12.8 mmt85 -149.41 125.84 10.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.537 HD11 HD21 ' A' ' 25' ' ' LEU . 25.6 mt -134.29 138.2 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.71 170.99 17.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.63 141.31 51.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -84.22 143.87 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -110.67 -70.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -126.26 -63.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -92.01 -45.69 8.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -153.96 -150.17 5.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -100.12 168.2 9.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 110.938 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.09 -106.25 2.51 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 126.21 13.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.357 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.606 ' HB1' ' HD2' ' A' ' 94' ' ' ARG . . . -104.03 131.42 51.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.1 m -87.03 134.83 33.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -110.62 110.84 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 13.9 tt -115.43 136.35 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -105.35 107.47 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -100.64 105.39 16.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.882 HD23 ' HB2' ' A' ' 90' ' ' ALA . 80.5 mt -58.7 105.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.702 ' HB2' ' HB3' ' A' ' 97' ' ' ALA . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.136 0 CA-C-O 120.847 0.27 . . . . 0.0 112.328 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.13 162.08 21.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.458 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.58 141.63 93.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.559 0.695 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 158.29 57.42 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.6 p -133.71 166.46 22.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 m 60.48 52.75 4.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.699 HG22 ' HB2' ' A' ' 27' ' ' TRP . 83.0 t -95.29 112.78 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -122.41 141.9 51.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 53.4 mt -118.24 134.2 62.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.176 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 m -143.33 135.48 26.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -69.47 126.45 29.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -116.86 168.15 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.8 m -52.48 -38.5 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.31 26.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.65 -104.33 2.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.69 HD12 HD21 ' A' ' 78' ' ' LEU . 94.2 mt -118.94 145.78 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 111.127 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -120.36 97.34 5.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tp -86.21 118.48 25.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.8 p -133.34 135.79 44.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.699 ' HB2' HG22 ' A' ' 14' ' ' VAL . 45.3 p90 -144.07 176.12 9.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -122.65 153.03 62.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.588 0.708 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 164.32 34.98 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.94 40.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.6 mm . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.863 0.363 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.438 ' C ' ' CD ' ' A' ' 39' ' ' GLU . 26.0 mt -66.14 -67.58 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.438 ' CD ' ' C ' ' A' ' 38' ' ' LEU . 43.3 mp0 -156.97 163.62 38.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -109.8 168.65 9.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.8 t -148.78 125.44 11.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.43 134.64 48.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.061 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 4.2 m-85 -123.78 154.89 38.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.816 HD21 ' HB2' ' A' ' 81' ' ' ALA . 8.5 tp -128.98 128.22 43.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.66 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . . . -58.34 131.85 51.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.48 HG21 ' SD ' ' A' ' 61' ' ' MET . 42.1 pt -127.18 172.73 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.916 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.855 0.359 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.3 m -76.51 147.83 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.66 ' CZ ' ' HB2' ' A' ' 45' ' ' ALA . 3.1 m-85 -114.71 168.78 9.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.48 ' SD ' HG21 ' A' ' 46' ' ' ILE . 17.4 ptt? -124.66 138.46 54.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -65.14 118.79 9.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.514 HD12 HG22 ' A' ' 73' ' ' VAL . 30.1 pt -110.0 -25.47 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -150.92 135.1 16.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.3 t -128.4 89.46 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -153.51 164.11 30.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.585 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -94.74 18.68 11.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.933 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 70' ' ' SER . 23.0 ttpp -87.88 4.8 43.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.546 ' HA ' ' CZ2' ' A' ' 27' ' ' TRP . 41.9 p 39.74 24.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' LYS . 67.9 m -159.99 138.4 10.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.2 p -156.1 163.48 39.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 23' ' ' ILE . 72.3 m -110.78 135.07 51.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.514 HG22 HD12 ' A' ' 63' ' ' ILE . 58.7 t -108.31 110.14 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.8 p -78.44 177.14 8.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -62.34 -54.13 44.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.32 -41.1 0.3 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.509 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -83.84 -48.16 10.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.69 HD21 HD12 ' A' ' 23' ' ' ILE . 17.5 mt -46.2 -42.97 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.84 -34.77 20.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -77.21 -27.18 53.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.816 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -55.98 120.74 7.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -86.52 121.11 28.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.2 mt -81.64 138.58 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.64 106.78 17.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 89' ' ' PRO . 17.7 m-85 -99.28 41.78 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.2 p -102.16 -50.86 3.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.4 m -125.59 -44.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.633 ' CG ' HD21 ' A' ' 112' ' ' LEU . 20.1 ttm180 -142.1 120.71 7.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.423 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.73 80.99 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.713 2.275 . . . . 0.0 112.367 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.447 ' HB1' ' C ' ' A' ' 111' ' ' TRP . . . -137.09 168.56 19.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.447 HG22 ' CE2' ' A' ' 93' ' ' PHE . 13.3 mt -86.84 131.42 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.5 t -95.35 138.61 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.508 ' CE1' HD13 ' A' ' 44' ' ' LEU . 91.0 m-85 -129.11 176.52 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.428 ' C ' HG13 ' A' ' 95' ' ' ILE . 41.0 mtt-85 -162.74 141.0 8.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.428 HG13 ' C ' ' A' ' 94' ' ' ARG . 26.7 mt -142.02 143.11 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.7 t -150.12 172.66 14.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.702 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -103.6 164.17 11.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.5 ' HG3' ' CZ ' ' A' ' 103' ' ' TYR . 1.4 ttpm? -132.27 112.8 12.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 100' ' ' GLU . 65.4 t30 -131.62 176.38 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 99' ' ' ASN . 51.1 mt-10 -33.83 -46.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.66 -56.64 15.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.01 -87.93 0.15 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.5 ' CZ ' ' HG3' ' A' ' 98' ' ' LYS . 10.3 m-85 -150.69 122.86 8.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.917 0.389 . . . . 0.0 110.933 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -93.43 -149.02 24.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.509 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 157.64 59.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -126.16 132.68 51.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.4 m -82.22 136.46 35.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -101.41 155.47 18.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 14.5 tt -157.1 133.87 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -100.07 129.56 46.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.447 ' C ' ' HB1' ' A' ' 90' ' ' ALA . 19.1 t90 -121.41 109.78 15.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.633 HD21 ' CG ' ' A' ' 88' ' ' ARG . 27.0 mt -65.76 130.12 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 179.89 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.149 0 CA-C-O 120.775 0.24 . . . . 0.0 112.364 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.22 159.74 4.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.429 ' HB1' ' OG1' ' A' ' 107' ' ' THR . . . -76.27 137.43 68.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.529 0.681 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 145.09 56.45 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -137.5 171.9 13.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 13' ' ' THR . 15.9 m 66.44 40.87 3.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.637 HG13 ' O ' ' A' ' 26' ' ' SER . 94.5 t -81.24 114.39 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -102.64 146.34 28.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.0 mt -132.75 146.19 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.4 m -153.25 135.3 14.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -64.92 132.54 49.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -108.98 169.26 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -73.47 -39.1 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -100.86 25.98 7.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.15 -139.6 10.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.693 ' CD1' HD11 ' A' ' 78' ' ' LEU . 43.6 mt -121.33 140.59 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 111.172 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -101.06 110.74 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.79 119.82 39.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.637 ' O ' HG13 ' A' ' 14' ' ' VAL . 59.9 p -121.16 155.34 34.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.5 p90 -159.63 166.2 31.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -122.66 153.05 62.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 166.03 28.93 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 144.87 55.3 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.689 2.259 . . . . 0.0 112.313 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.939 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.4 mm . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.829 0.347 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' ' 100' ' ' GLU . 35.8 mt -50.65 170.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -43.29 155.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -90.8 169.07 11.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -141.9 134.61 28.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.41 131.4 53.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -122.01 162.18 21.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.927 HD21 ' HB2' ' A' ' 81' ' ' ALA . 18.2 tp -147.83 134.09 19.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.9 142.39 58.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.795 HG21 ' HG2' ' A' ' 61' ' ' MET . 0.0 OUTLIER -134.16 172.59 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' ILE . 5.7 ttt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.432 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.83 0.348 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.3 t -84.64 108.98 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.432 ' CE1' ' HB2' ' A' ' 58' ' ' LEU . 8.4 m-85 -89.54 116.82 27.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.795 ' HG2' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -88.27 139.77 30.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -53.06 123.21 11.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.499 HG13 ' N ' ' A' ' 64' ' ' TYR . 42.9 pt -106.28 -35.94 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.499 ' N ' HG13 ' A' ' 63' ' ' ILE . 62.6 t80 -128.57 138.48 52.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.1 p -127.41 117.23 21.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.13 -158.61 26.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.713 ' H ' HD23 ' A' ' 67' ' ' LEU . 2.5 pt? -121.12 -41.24 2.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.894 0.378 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.446 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -38.33 143.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.2 p -80.63 39.72 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -176.13 157.84 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.488 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 25.8 p -158.28 171.92 19.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.9 m -122.92 136.53 54.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.8 t -108.79 136.28 45.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.8 p -93.89 144.5 25.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -44.76 -53.41 7.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.097 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.04 -44.96 0.55 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.503 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -75.11 -45.16 43.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.693 HD11 ' CD1' ' A' ' 23' ' ' ILE . 12.9 mt -43.47 -36.64 2.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.74 -41.31 73.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -75.51 -25.62 57.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.927 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -54.71 129.45 36.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -70.85 137.28 49.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.2 mm -104.77 99.73 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -74.16 98.68 3.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' SER . 28.9 m-85 -82.43 19.54 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.7 p -59.98 75.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.148 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' TYR . 74.1 m 56.42 25.02 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.407 ' CG ' HD21 ' A' ' 112' ' ' LEU . 55.4 ttm-85 -179.54 104.99 0.18 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.496 ' O ' HD23 ' A' ' 112' ' ' LEU . 53.6 Cg_endo -69.81 93.56 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.28 . . . . 0.0 112.34 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.33 170.86 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.8 mt -100.91 136.76 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.71 142.34 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.611 ' CE1' HD13 ' A' ' 44' ' ' LEU . 60.2 m-85 -137.17 167.94 20.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.436 ' C ' HG13 ' A' ' 95' ' ' ILE . 16.1 mtm180 -152.28 139.62 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.436 HG13 ' C ' ' A' ' 94' ' ' ARG . 47.8 mt -145.06 139.95 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.4 t -150.07 165.95 31.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.43 165.27 13.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 103' ' ' TYR . 19.8 tttm -126.56 118.55 25.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 8' ' ' PRO . 45.1 m-20 -95.72 17.45 14.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.655 ' HB2' HD11 ' A' ' 38' ' ' LEU . 10.2 tt0 70.71 28.21 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -134.38 -43.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 103' ' ' TYR . . . 163.73 106.88 0.2 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 98' ' ' LYS . 14.1 m-85 -33.63 126.76 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.913 0.387 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -88.35 -139.43 6.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 145.47 57.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.721 2.281 . . . . 0.0 112.286 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.44 122.66 47.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.429 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 25.2 m -75.01 144.55 43.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -114.08 160.48 18.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.407 ' C ' ' HD3' ' A' ' 110' ' ' ARG . 15.6 tt -159.55 148.73 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.448 ' HD3' ' N ' ' A' ' 110' ' ' ARG . 0.9 OUTLIER -117.78 111.38 19.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 30.5 t90 -102.28 105.41 16.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 89' ' ' PRO . 19.9 mt -51.09 166.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.895 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.465 ' HB2' ' HB3' ' A' ' 97' ' ' ALA . 54.1 Cg_endo . . . . . 0 N--CA 1.466 -0.126 0 CA-C-O 120.829 0.262 . . . . 0.0 112.358 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.09 155.81 1.66 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.414 ' HB1' ' OG1' ' A' ' 107' ' ' THR . . . -83.91 147.26 50.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.719 . . . . 0.0 111.071 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.5 ' HG3' HG22 ' A' ' 95' ' ' ILE . 53.4 Cg_endo -69.79 133.04 24.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 m -118.18 162.16 18.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 13' ' ' THR . 17.7 m 70.27 40.91 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.503 HG22 ' HB2' ' A' ' 27' ' ' TRP . 63.0 t -74.93 109.68 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -104.96 146.42 29.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.6 mt -129.15 147.45 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -146.12 118.28 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -74.7 124.18 26.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -111.51 172.02 7.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 21' ' ' ASP . 35.6 m -64.27 -43.88 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.484 ' N ' HG23 ' A' ' 20' ' ' VAL . 1.6 m-20 -72.53 -29.79 63.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.43 -168.38 40.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 69.0 mt -81.11 142.38 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.852 0.358 . . . . 0.0 111.158 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -112.04 98.86 7.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 tp -84.44 119.83 25.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -127.07 156.84 41.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.503 ' HB2' HG22 ' A' ' 14' ' ' VAL . 17.0 p90 -168.66 175.08 6.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -111.73 153.84 44.21 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.682 0.753 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.33 21.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 2.244 . . . . 0.0 112.356 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.72 9.4 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.706 2.27 . . . . 0.0 112.329 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.2 mm . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.904 0.383 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 mt -73.8 169.93 16.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.438 ' CB ' ' HB3' ' A' ' 67' ' ' LEU . 2.4 pp20? -48.24 177.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -115.74 169.36 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.2 p -144.15 134.96 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.452 ' HB3' ' HB3' ' A' ' 64' ' ' TYR . . . -114.76 130.74 56.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -115.61 153.67 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.852 HD21 ' HB2' ' A' ' 81' ' ' ALA . 14.5 tp -135.55 114.05 11.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.579 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . . . -51.37 124.08 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.696 HG22 ' O ' ' A' ' 80' ' ' ASN . 42.3 pt -123.0 139.57 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.463 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 10.2 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.0 t -81.47 113.0 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.579 ' CD2' ' HB2' ' A' ' 45' ' ' ALA . 9.1 m-85 -98.81 153.93 18.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.661 ' SD ' HD13 ' A' ' 46' ' ' ILE . 11.1 ptt? -128.53 144.55 51.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 62' ' ' ARG . 7.1 tmm_? -65.54 121.74 15.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.439 HG13 ' N ' ' A' ' 64' ' ' TYR . 9.7 pt -112.73 -33.61 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.452 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 11.1 t80 -114.45 133.28 55.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.9 p -119.59 123.94 45.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.63 -168.62 40.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.59 ' N ' HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -133.95 13.93 3.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.917 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -84.26 167.95 16.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.1 p -89.99 -20.41 23.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.5 p -126.28 129.93 49.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.4 p -130.75 169.76 15.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.7 m -124.33 135.45 53.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.4 t -109.39 139.28 32.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 p -95.14 162.8 13.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.096 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -60.38 -46.34 90.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.86 -52.16 1.5 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.448 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.41 ' NE2' ' HB ' ' A' ' 63' ' ' ILE . 45.8 mt-30 -70.56 -42.5 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -51.15 -37.29 45.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.36 -36.25 68.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.696 ' O ' HG22 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -97.0 20.56 11.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.852 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -97.99 118.62 34.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.045 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -72.87 116.2 13.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.0 mt -94.49 121.22 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.943 ' OD1' HG23 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -72.52 98.68 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' SER . 9.8 m-85 -83.02 10.37 8.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 88' ' ' ARG . 60.0 p -52.62 89.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 85' ' ' TYR . 5.9 t 41.74 24.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 86' ' ' THR . 20.3 ttm180 -178.08 105.05 0.21 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.822 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 91.22 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.97 153.95 51.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.404 ' CG2' ' CE2' ' A' ' 93' ' ' PHE . 58.2 mt -96.59 134.2 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.943 HG23 ' OD1' ' A' ' 84' ' ' ASP . 93.6 t -96.72 138.15 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.481 ' HB2' ' CG2' ' A' ' 109' ' ' ILE . 61.1 m-85 -134.35 148.42 50.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -121.52 132.92 54.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.5 HG22 ' HG3' ' A' ' 11' ' ' PRO . 35.3 mt -140.79 142.04 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.0 t -160.15 162.78 34.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -104.74 153.23 21.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.519 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 41.6 tttt -106.08 132.28 52.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -123.41 179.33 4.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -42.81 -41.91 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -80.62 -53.72 6.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.75 -142.46 7.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.519 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 98.3 m-85 -98.12 135.78 39.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.932 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 105' ' ' PRO . . . -96.74 -133.74 7.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 104' ' ' GLY . 54.1 Cg_endo -69.74 142.74 48.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.381 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.19 159.93 16.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.414 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 84.0 m -112.07 137.48 50.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -104.26 118.68 37.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 17.1 tt -115.6 146.77 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.415 ' NH1' ' HD2' ' A' ' 88' ' ' ARG . 56.4 mtm180 -119.71 114.13 21.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.47 ' CZ3' ' CD ' ' A' ' 113' ' ' GLN . 18.8 t90 -105.21 96.94 6.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 mt -51.54 125.69 15.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.47 ' CD ' ' CZ3' ' A' ' 111' ' ' TRP . 4.2 mm100 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.153 0 CA-C-O 120.842 0.267 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.93 171.28 25.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.475 ' HB1' ' OG1' ' A' ' 107' ' ' THR . . . -108.56 151.37 41.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 152.07 69.37 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.641 2.227 . . . . 0.0 112.333 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 m -139.03 168.38 19.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.821 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 13' ' ' THR . 17.2 m 52.15 43.37 30.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.162 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -69.16 113.71 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -108.5 130.56 55.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.49 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 23.9 mt -121.43 129.45 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 m -126.66 174.03 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -89.01 129.45 35.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.437 ' HB3' ' C ' ' A' ' 22' ' ' GLY . 15.8 t30 -99.41 156.08 17.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.4 t -64.2 -38.09 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -109.78 29.3 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.437 ' C ' ' HB3' ' A' ' 19' ' ' ASN . . . 143.19 -135.88 6.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.432 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.574 HD12 HD21 ' A' ' 78' ' ' LEU . 43.7 mt -113.67 144.51 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -110.24 102.88 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.9 139.49 30.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.1 m -145.25 149.46 34.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -156.27 176.44 12.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -113.57 153.28 45.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.739 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 162.9 40.27 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.315 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 146.59 60.67 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -179.955 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.722 HG21 ' OH ' ' A' ' 40' ' ' TYR . 37.9 mm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.856 0.36 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 67.8 mt -70.62 160.25 32.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.965 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -45.51 150.22 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.722 ' OH ' HG21 ' A' ' 37' ' ' ILE . 30.8 m-85 -94.87 168.13 10.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 m -150.0 132.62 15.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.68 141.43 42.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -119.07 145.0 46.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.048 HD21 ' HB2' ' A' ' 81' ' ' ALA . 30.2 tp -119.65 117.35 28.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.491 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -46.66 134.96 9.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.8 pt -129.6 129.39 66.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 2.7 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.8 t -73.93 107.2 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 58' ' ' LEU . 17.2 m-85 -97.64 129.32 44.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -109.75 140.74 43.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -63.98 119.16 9.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 64' ' ' TYR . 28.5 pt -108.28 -32.37 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.448 ' N ' HG13 ' A' ' 63' ' ' ILE . 1.5 t80 -117.93 132.41 56.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.1 t -125.71 93.58 3.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -166.84 -169.7 30.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.492 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.736 ' H ' HD23 ' A' ' 67' ' ' LEU . 2.1 pt? -108.91 -39.28 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.45 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 13.7 tptm -41.26 140.12 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 50.6 p -85.61 37.67 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 86.1 p -167.49 124.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 20.1 p -131.03 166.45 20.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.0 m -120.44 128.88 53.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.0 t -103.15 130.71 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.0 p -88.51 155.36 19.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.499 ' HA ' HD12 ' A' ' 78' ' ' LEU . . . -53.2 -51.19 62.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.089 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -37.42 -49.59 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -71.03 -43.73 67.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.815 0.341 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.574 HD21 HD12 ' A' ' 23' ' ' ILE . 18.1 mt -45.71 -43.17 12.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.01 -42.04 60.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -74.26 -26.7 60.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 1.048 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -60.1 122.0 13.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 82' ' ' HIS . 3.5 t60 -71.47 122.47 20.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 38.8 mm -86.82 107.84 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.33 99.2 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.501 ' O ' ' N ' ' A' ' 87' ' ' SER . 41.6 m-85 -89.21 17.04 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.9 p -59.59 75.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 85' ' ' TYR . 1.2 t 60.19 24.99 14.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 16.7 ttt180 -179.33 105.01 0.19 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.6 Cg_endo -69.78 88.53 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.248 . . . . 0.0 112.317 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.6 170.66 15.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 73.6 mt -103.09 129.44 54.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.5 t -86.9 109.46 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.718 ' CE1' HD13 ' A' ' 44' ' ' LEU . 52.3 m-85 -105.47 164.33 11.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -144.29 127.92 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 21.1 mt -134.24 132.56 55.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.2 t -142.24 163.2 33.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.86 149.65 25.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.42 ' HD3' ' CE2' ' A' ' 103' ' ' TYR . 17.4 tptm -110.01 134.74 51.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 100' ' ' GLU . 12.9 t-20 -126.31 165.4 19.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 99' ' ' ASN . 10.3 tt0 -36.35 -39.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -59.7 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.5 -147.04 10.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.42 ' CE2' ' HD3' ' A' ' 98' ' ' LYS . 54.3 m-85 -93.04 148.01 22.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.951 0.405 . . . . 0.0 110.923 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.418 ' HA3' ' HD2' ' A' ' 105' ' ' PRO . . . -115.49 -129.77 4.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.418 ' HD2' ' HA3' ' A' ' 104' ' ' GLY . 53.6 Cg_endo -69.7 143.91 52.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 0.0 112.372 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -116.75 144.43 44.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.475 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 28.4 m -110.26 143.02 41.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.423 ' NE2' ' HG3' ' A' ' 110' ' ' ARG . 12.0 tm0? -110.12 150.84 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.9 tt -151.4 132.59 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.423 ' HG3' ' NE2' ' A' ' 108' ' ' GLN . 17.3 mtm180 -101.66 98.11 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.49 ' CD1' ' HB ' ' A' ' 16' ' ' ILE . 33.0 t90 -81.79 99.33 8.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.36 129.97 44.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.9 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD3' ' ND2' ' A' ' 99' ' ' ASN . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.836 0.265 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.49 174.7 7.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.423 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.17 148.11 33.91 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.565 0.698 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 112.19 3.0 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.6 m -95.3 153.49 17.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 m 75.02 41.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -71.26 111.44 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -101.74 144.42 30.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.5 mt -128.88 122.59 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.5 m -122.85 135.22 54.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -73.11 122.32 21.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -106.96 159.42 16.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 21' ' ' ASP . 7.1 p -58.76 -41.77 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.424 ' N ' HG13 ' A' ' 20' ' ' VAL . 35.4 m-20 -72.15 -28.8 63.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.92 -114.54 0.54 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.523 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.798 ' CD1' HD11 ' A' ' 78' ' ' LEU . 51.1 mt -119.12 137.62 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 24' ' ' HIS . 2.4 t-160 -105.59 99.53 9.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.725 HD21 HD11 ' A' ' 95' ' ' ILE . 1.1 tp -87.2 125.34 34.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.0 p -131.9 145.71 51.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 17.6 p90 -155.6 167.24 31.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -115.49 148.71 41.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.661 0.743 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 164.73 33.53 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.268 . . . . 0.0 112.307 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.95 64.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.6 mm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.863 0.364 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.685 HD12 ' HG2' ' A' ' 98' ' ' LYS . 69.3 mt -56.83 179.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -52.69 -174.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.408 ' O ' ' O ' ' A' ' 66' ' ' GLY . 13.0 m-85 -124.0 169.6 11.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 t -150.78 119.8 6.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -98.23 145.67 26.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.47 ' HB3' ' CB ' ' A' ' 60' ' ' PHE . 12.0 m-85 -128.01 156.41 42.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.858 HD21 ' HB2' ' A' ' 81' ' ' ALA . 28.6 tp -137.57 142.02 41.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.577 ' HB3' ' CD2' ' A' ' 82' ' ' HIS . . . -86.23 117.67 25.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.087 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 47' ' ' ARG . 30.4 pt -106.87 -36.79 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.446 ' N ' HG13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.858 0.361 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.532 ' O ' HG13 ' A' ' 59' ' ' VAL . 6.3 p -98.48 109.01 23.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.578 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 10.3 m-85 -103.65 124.52 48.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -94.07 135.4 35.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 62' ' ' ARG . 5.5 tmm_? -55.46 122.74 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.476 HG13 ' N ' ' A' ' 64' ' ' TYR . 42.5 pt -113.68 -37.86 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.509 ' CD1' ' HB2' ' A' ' 71' ' ' CYS . 32.4 t80 -115.7 133.15 56.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 9.3 t -114.9 90.32 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.471 ' HA3' ' CZ ' ' A' ' 64' ' ' TYR . . . -155.03 179.6 30.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.513 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.831 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.7 pt? -124.23 -26.45 3.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.926 0.393 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.74 150.97 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.3 p -79.3 41.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.0 p -175.89 127.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.509 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 16.5 p -134.82 162.42 32.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.9 m -125.63 136.68 53.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.0 t -111.61 144.62 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.3 p -94.13 162.46 13.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.52 -49.94 75.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.22 -54.02 2.1 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -63.52 -49.58 72.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.798 HD11 ' CD1' ' A' ' 23' ' ' ILE . 13.2 mt -44.13 -45.96 8.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.35 -43.6 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -72.93 -22.5 60.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.858 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -59.23 132.07 52.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 45' ' ' ALA . 1.0 OUTLIER -85.67 123.79 31.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 80.4 mt -97.74 120.64 47.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -83.1 101.95 11.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' A' ' 87' ' ' SER . 19.1 m-85 -82.97 18.95 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.6 m -56.82 79.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 85' ' ' TYR . 2.6 t 50.1 25.05 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.608 ' HG2' HD21 ' A' ' 112' ' ' LEU . 6.5 ttm180 -178.7 105.0 0.2 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.729 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.7 Cg_endo -69.73 96.97 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.724 2.283 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.732 ' HB2' HD23 ' A' ' 112' ' ' LEU . . . -142.33 153.21 43.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 70.9 mt -99.82 133.88 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 45.0 t -93.96 140.52 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -132.24 167.8 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.578 ' HG3' ' CD1' ' A' ' 60' ' ' PHE . 9.4 mmt180 -142.67 135.98 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.725 HD11 HD21 ' A' ' 25' ' ' LEU . 46.2 mt -145.3 140.52 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.4 p -151.71 176.69 11.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.401 ' C ' ' CD2' ' A' ' 103' ' ' TYR . . . -134.34 148.95 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.685 ' HG2' HD12 ' A' ' 38' ' ' LEU . 14.4 ttpp -113.32 131.66 55.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.416 ' ND2' ' HD3' ' A' ' 8' ' ' PRO . 28.6 m-20 -97.5 -68.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -134.83 -58.62 0.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -73.12 -54.87 7.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.458 ' HA2' ' CD ' ' A' ' 98' ' ' LYS . . . -176.66 -146.45 6.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 98' ' ' LYS . 47.4 m-85 -103.04 155.77 18.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.14 -106.54 2.52 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.16 17.13 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.442 ' HB3' ' NH1' ' A' ' 94' ' ' ARG . . . -104.79 121.54 43.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.5 151.31 38.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -129.54 136.13 49.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 18.3 tt -137.58 136.76 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -104.56 103.82 13.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -88.12 95.71 10.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.732 HD23 ' HB2' ' A' ' 90' ' ' ALA . 31.9 mt -62.32 133.86 55.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.898 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.149 0 CA-C-O 120.851 0.271 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.25 143.07 22.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.46 153.97 81.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.537 0.684 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 143.54 51.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.237 . . . . 0.0 112.336 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.5 m -132.66 154.93 49.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m 72.0 45.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.91 129.75 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -120.0 153.99 35.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.8 mt -135.07 121.02 31.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.3 m -122.82 129.58 51.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -67.46 135.2 52.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -112.0 151.27 29.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.7 m -54.86 -32.29 26.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -83.77 -28.04 28.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.69 -106.14 0.22 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.647 ' O ' HG23 ' A' ' 72' ' ' THR . 63.2 mt -129.86 140.14 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 111.099 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -114.2 97.16 6.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tp -81.82 132.36 35.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -139.63 159.21 42.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 41.0 p90 -165.34 167.08 18.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -105.37 155.53 37.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.652 0.739 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 159.83 51.97 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 31' ' ' THR . 53.6 Cg_endo -69.74 94.39 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.646 2.23 . . . . 0.0 112.376 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' PRO . 9.3 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.575 HG21 ' CE1' ' A' ' 40' ' ' TYR . 4.9 mp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.896 0.379 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' ILE . 41.8 mt -37.17 -45.83 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -161.77 159.8 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.575 ' CE1' HG21 ' A' ' 37' ' ' ILE . 5.8 m-85 -102.84 169.04 8.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.7 p -147.31 127.8 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.09 126.08 52.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -111.63 138.13 48.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.952 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.753 ' O ' HG23 ' A' ' 46' ' ' ILE . 18.9 tp -116.03 106.77 14.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.73 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . . . -44.84 125.96 5.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.865 HD13 ' H ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -131.23 172.21 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.3 mmm-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.847 0.356 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.0 p -105.27 131.42 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.73 ' CD2' ' HB2' ' A' ' 45' ' ' ALA . 3.5 m-85 -120.75 130.8 54.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.734 ' HG2' HD12 ' A' ' 46' ' ' ILE . 7.4 ptt? -107.37 158.21 17.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -76.32 121.93 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.494 HG21 ' HB3' ' A' ' 44' ' ' LEU . 40.1 pt -109.31 -33.79 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.478 ' N ' HG13 ' A' ' 63' ' ' ILE . 8.7 t80 -133.83 138.66 45.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.1 t -128.77 96.35 4.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.01 138.83 5.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.665 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.1 pt? -54.98 -37.9 67.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 110.933 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 8.5 ttmm -41.0 142.88 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 79.4 p -93.89 37.69 1.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.6 p -165.24 124.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.6 p -134.08 166.56 22.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 23' ' ' ILE . 86.8 m -121.86 141.0 51.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.414 HG12 ' HG ' ' A' ' 78' ' ' LEU . 90.8 t -110.69 138.93 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.2 p -95.59 172.14 8.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -67.8 -58.9 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.51 -42.61 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -78.98 -42.47 26.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.601 HD11 HD12 ' A' ' 23' ' ' ILE . 16.1 mt -50.65 -48.26 58.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.68 43.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -71.2 -23.38 62.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.47 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -62.65 129.39 40.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -77.4 92.75 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 76.6 mt -74.16 119.5 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.91 94.64 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 87' ' ' SER . 11.1 m-85 -76.6 7.07 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.0 m -47.86 87.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 85' ' ' TYR . 23.3 m 43.37 25.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.406 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 6.8 mtt180 -178.03 106.21 0.21 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.596 0.713 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.4 Cg_endo -69.76 97.8 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.48 ' HB1' ' HG2' ' A' ' 110' ' ' ARG . . . -142.36 157.6 44.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 13.4 mt -105.2 133.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.436 ' CG1' ' CD ' ' A' ' 108' ' ' GLN . 74.1 t -97.43 122.26 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.437 ' CE1' HD13 ' A' ' 44' ' ' LEU . 51.1 m-85 -105.36 164.81 11.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.592 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 3.0 mmm180 -148.66 115.76 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.4 mt -128.54 146.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.1 t -148.65 170.75 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.419 ' HB1' HG12 ' A' ' 37' ' ' ILE . . . -110.0 139.08 45.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 38.1 tttt -103.8 137.41 41.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 100' ' ' GLU . 22.1 p-10 -132.02 173.05 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 99' ' ' ASN . 31.0 mt-10 -36.82 -43.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -64.55 -64.95 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 172.41 -93.05 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.43 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 39.8 m-85 -144.7 137.67 26.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.921 0.391 . . . . 0.0 110.946 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -111.84 -128.17 5.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.96 46.66 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.336 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.98 162.94 15.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 96.8 m -121.76 137.77 54.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.436 ' CD ' ' CG1' ' A' ' 92' ' ' VAL . 2.1 tt0 -116.89 148.28 41.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.4 tt -151.8 133.25 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.48 ' HG2' ' HB1' ' A' ' 90' ' ' ALA . 14.1 ttp180 -93.25 141.46 28.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -123.06 105.57 10.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.9 mt -76.77 105.58 7.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.923 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 m -82.64 68.34 9.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.6 p -134.1 153.73 51.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.57 -84.12 1.15 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 6' ' ' SER . 13.2 t -79.08 -71.65 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 5' ' ' SER . 55.7 m -37.36 110.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.48 -173.32 47.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.45 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 133.12 24.83 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.321 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.02 154.79 1.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.7 149.57 96.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 146.25 59.36 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.26 . . . . 0.0 112.346 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.6 m -120.28 168.99 10.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 59.63 49.82 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.148 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.789 HG22 ' HB2' ' A' ' 27' ' ' TRP . 95.4 t -96.87 111.89 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -121.71 159.12 27.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.678 HG12 HD12 ' A' ' 25' ' ' LEU . 58.9 mt -128.13 117.78 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.8 m -111.88 148.97 32.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -72.16 131.99 43.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -105.26 169.5 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 20' ' ' VAL . 46.9 t -82.63 -12.66 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -125.17 10.17 8.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.89 -123.73 1.49 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.55 HD12 HD21 ' A' ' 78' ' ' LEU . 65.6 mt -123.8 139.42 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 111.166 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -107.23 99.62 9.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.678 HD12 HG12 ' A' ' 16' ' ' ILE . 2.2 tp -86.23 123.43 31.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.5 p -132.07 147.62 52.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.789 ' HB2' HG22 ' A' ' 14' ' ' VAL . 48.3 p90 -155.45 -178.78 7.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -128.32 153.66 78.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 163.81 36.86 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.698 2.266 . . . . 0.0 112.365 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 148.54 65.4 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.266 . . . . 0.0 112.351 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 t -62.1 -39.98 94.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.18 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.2 m -76.48 143.23 72.03 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.661 0.743 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -26.87 27.14 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.0 t 43.42 32.25 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.83 -114.31 4.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -102.76 111.04 23.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.2 mm -85.32 108.6 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.6 mt -78.66 171.06 15.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -45.74 156.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -96.75 166.52 11.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.6 t -148.56 136.15 20.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -116.44 130.1 56.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.437 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 3.2 m-85 -112.99 158.05 20.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.635 HD13 ' CE1' ' A' ' 93' ' ' PHE . 14.6 tp -138.27 127.73 24.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.61 137.08 44.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.541 HD13 ' HG2' ' A' ' 61' ' ' MET . 7.6 pt -135.53 170.93 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -147.3 123.13 10.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 49' ' ' ALA . 12.8 t -76.15 -44.71 36.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.506 ' N ' HG23 ' A' ' 48' ' ' THR . . . -149.27 172.55 14.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -51.79 117.2 2.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.08 152.78 5.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.38 -49.76 3.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -86.67 161.07 18.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -42.43 143.09 1.16 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.603 0.716 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 87.64 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.652 2.235 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 98.1 p -126.77 -60.08 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -81.11 146.76 30.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.457 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -130.16 160.68 33.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.1 t -119.5 104.45 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.53 ' CD1' ' NH2' ' A' ' 94' ' ' ARG . 16.3 m-85 -92.21 128.46 38.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.541 ' HG2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -116.91 133.97 55.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -50.59 128.81 21.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.0 pt -117.43 -30.61 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -128.06 126.62 41.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.6 t -119.38 106.68 12.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -177.0 -167.26 35.22 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.446 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.871 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.8 pt? -111.66 -27.39 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.37 . . . . 0.0 110.936 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.74 145.49 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.2 p -93.04 38.55 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.5 p -171.73 126.95 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 11.4 p -129.83 167.74 17.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.2 m -124.93 135.66 53.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.0 t -111.23 118.5 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.7 p -77.63 155.54 31.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 78' ' ' LEU . . . -49.53 -61.02 2.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.56 -37.73 0.57 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -74.2 -41.54 61.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.359 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.55 HD21 HD12 ' A' ' 23' ' ' ILE . 9.5 mt -57.4 -34.11 68.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.77 -13.26 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.082 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.34 -22.16 16.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.501 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -62.69 133.8 55.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.441 ' O ' ' CD2' ' A' ' 82' ' ' HIS . 7.2 t60 -96.08 105.16 17.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.6 mt -81.79 135.67 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -82.82 109.95 17.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -97.66 34.09 1.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.9 m -84.18 -60.04 2.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -113.78 -49.7 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.8 mtt85 -144.12 132.5 10.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.631 0.729 . . . . 0.0 110.822 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 95.77 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.314 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.88 154.05 49.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.3 mt -88.59 129.52 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.9 t -96.55 116.87 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.635 ' CE1' HD13 ' A' ' 44' ' ' LEU . 40.6 m-85 -110.93 147.21 35.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.825 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.821 ' HG2' ' HB1' ' A' ' 106' ' ' ALA . 5.5 ttm180 -124.3 136.16 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.556 HD11 HD21 ' A' ' 25' ' ' LEU . 28.2 mt -142.58 147.02 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.183 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.1 t -156.52 177.67 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -126.89 134.03 50.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.531 ' HB2' ' CE2' ' A' ' 103' ' ' TYR . 27.8 tttt -83.58 135.82 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.48 -58.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -132.89 -65.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -123.86 -10.35 7.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -140.11 -178.31 16.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.531 ' CE2' ' HB2' ' A' ' 98' ' ' LYS . 12.6 m-85 -113.23 165.06 12.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 0.0 110.891 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -86.3 -152.7 21.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.445 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 124.82 11.43 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.821 ' HB1' ' HG2' ' A' ' 94' ' ' ARG . . . -81.72 149.05 28.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.9 m -104.51 133.12 49.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -98.15 113.42 25.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.416 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 15.6 tt -112.39 149.82 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -120.26 117.2 27.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 15.0 t90 -100.62 111.92 24.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 113' ' ' GLN . 16.8 mt -83.57 115.9 22.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 112' ' ' LEU . 53.7 mt-30 -35.91 -60.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.63 179.88 18.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -118.85 -44.58 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.4 t -90.58 164.52 14.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -143.98 147.47 33.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.0 m -69.07 -49.04 60.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -177.64 -166.28 34.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 153.01 69.52 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.713 2.275 . . . . 0.0 112.356 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.4 m -141.83 163.03 34.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.0 t -97.61 130.67 44.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 t -111.87 141.19 45.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 110.847 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.9 p -93.51 112.62 24.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.8 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.65 83.54 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -145.91 151.69 38.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 m -68.74 82.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.65 -168.4 38.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -8.62 24.06 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.324 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.92 154.49 25.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.552 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.16 151.15 39.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.56 0.695 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.431 ' HG3' HG22 ' A' ' 95' ' ' ILE . 53.4 Cg_endo -69.79 159.84 51.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.287 . . . . 0.0 112.317 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -138.61 168.52 19.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m 55.17 47.77 20.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.3 t -76.26 111.04 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -106.71 152.17 24.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.568 HG12 HD12 ' A' ' 25' ' ' LEU . 56.3 mt -135.01 122.68 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.3 m -117.6 147.89 42.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -70.9 131.88 44.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -104.73 146.62 28.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.6 m -61.29 -20.76 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.112 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -114.54 2.28 14.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.26 -121.0 0.99 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.567 HD12 HD21 ' A' ' 78' ' ' LEU . 15.0 mt -130.86 138.05 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -108.64 99.75 9.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.568 HD12 HG12 ' A' ' 16' ' ' ILE . 1.8 tp -80.09 136.8 36.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 t -138.45 162.12 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 32.8 p90 -167.92 -176.7 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -127.05 155.62 75.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 152.07 69.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.314 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 107.34 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.629 ' O ' HG23 ' A' ' 31' ' ' THR . 9.1 t -71.03 70.49 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.5 m -142.14 158.6 61.15 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.685 0.755 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' SER . 53.3 Cg_endo -69.77 3.08 2.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' PRO . 77.5 p -34.3 140.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' SER . . . -35.02 -91.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.469 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.94 173.52 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.9 mm -134.34 95.55 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.6 mt -56.27 -68.17 0.23 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -148.05 170.71 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -108.63 162.79 13.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -150.13 120.4 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -102.99 145.02 30.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.463 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 1.5 m-85 -130.84 157.88 41.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 81' ' ' ALA . 33.3 tp -127.02 118.88 25.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.65 125.15 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.448 HG23 ' O ' ' A' ' 44' ' ' LEU . 11.1 pt -131.5 161.22 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.49 152.09 46.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 48' ' ' THR . 9.9 t -160.47 116.89 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 61.18 34.01 19.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -105.93 83.27 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -107.39 110.21 22.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 53.74 46.06 26.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -97.44 160.28 14.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -63.84 144.24 98.03 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.644 0.735 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 115.7 4.22 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 57' ' ' GLN . 7.5 t -134.5 151.51 51.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 56' ' ' SER . 32.1 tt0 -34.62 96.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' SER . 5.9 mt -34.22 135.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.1 t -86.93 137.82 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.536 ' CE2' ' HG3' ' A' ' 94' ' ' ARG . 10.6 m-85 -114.28 153.06 30.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.402 ' O ' HG23 ' A' ' 63' ' ' ILE . 15.6 ptt? -126.51 138.29 53.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -60.06 119.59 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 61' ' ' MET . 36.5 pt -115.88 -14.8 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -149.84 132.28 15.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 38.1 t -123.74 96.97 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.26 -162.77 12.35 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.588 ' N ' HD23 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -124.02 -19.01 5.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.917 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 70' ' ' SER . 7.2 tmtm? -53.72 147.06 12.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.452 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 66.6 p -83.86 27.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.473 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 3.8 p -168.0 131.85 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 18.7 p -129.81 168.01 17.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.7 m -118.03 138.05 52.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -115.2 132.95 62.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.6 p -90.49 161.51 15.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.487 ' HA ' HD12 ' A' ' 78' ' ' LEU . . . -63.46 -46.97 83.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -43.1 -39.29 3.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -79.9 -38.09 33.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.923 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.567 HD21 HD12 ' A' ' 23' ' ' ILE . 63.2 mt -54.48 -35.86 63.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.6 -29.94 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.087 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -85.44 -15.62 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.694 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -59.33 128.47 37.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -75.04 125.14 28.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 16.2 mm -98.97 126.63 52.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 88' ' ' ARG . 16.6 t70 -98.96 94.94 6.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 86' ' ' THR . 20.0 m-85 -81.59 -30.01 33.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 85' ' ' TYR . 95.5 m -36.82 -64.3 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 m -92.06 -67.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.698 ' HD3' HD21 ' A' ' 112' ' ' LEU . 7.3 ttm105 -148.64 133.45 9.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 92.55 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.41 160.67 39.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.593 HD12 ' HE3' ' A' ' 111' ' ' TRP . 78.3 mt -86.84 127.41 40.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.5 t -87.44 103.84 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.45 ' HB2' ' CG2' ' A' ' 109' ' ' ILE . 6.6 m-85 -100.55 133.84 44.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.536 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -118.24 134.15 55.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.431 HG22 ' HG3' ' A' ' 11' ' ' PRO . 19.2 mt -138.44 138.14 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.3 t -151.96 172.27 16.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.45 150.83 34.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.06 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 103' ' ' TYR . 3.5 ttpm? -112.22 121.06 43.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 100' ' ' GLU . 13.9 p-10 -120.94 173.76 7.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 99' ' ' ASN . 17.0 mt-10 -35.06 -39.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -77.92 -59.61 2.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 158.92 -128.37 2.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.44 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 98' ' ' LYS . 71.6 m-85 -114.74 127.16 55.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.971 0.415 . . . . 0.0 110.906 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.36 -95.93 1.94 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 136.33 32.86 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.324 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.4 ' CB ' ' HE ' ' A' ' 94' ' ' ARG . . . -127.01 165.84 18.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.0 m -127.39 123.49 36.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -104.68 116.33 31.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.45 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 10.7 tt -116.89 158.37 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -125.12 120.39 31.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.593 ' HE3' HD12 ' A' ' 91' ' ' ILE . 14.2 t90 -101.74 126.63 48.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.698 HD21 ' HD3' ' A' ' 88' ' ' ARG . 33.4 mt -81.72 97.04 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.408 ' OE1' ' N ' ' A' ' 115' ' ' ASN . 1.8 pp0? -102.14 150.21 23.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -63.04 -74.15 0.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.408 ' N ' ' OE1' ' A' ' 113' ' ' GLN . 16.7 p-10 -170.99 129.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.2 t -83.18 93.57 7.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.45 100.79 4.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 97.9 p -168.68 139.88 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -109.98 159.27 14.02 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.417 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 165.57 30.59 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.665 2.244 . . . . 0.0 112.366 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.1 p -123.87 36.38 4.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.1 p -150.71 124.58 9.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.507 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -106.14 87.1 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.82 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -53.0 175.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.54 53.86 2.96 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -61.23 89.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.876 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -157.31 133.23 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.838 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.99 -162.56 35.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.452 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -179.74 3.1 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.647 2.231 . . . . 0.0 112.355 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.77 170.86 31.15 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.82 154.36 47.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.576 0.703 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 141.59 45.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.2 m -117.87 162.02 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 13' ' ' THR . 11.4 m 55.51 47.65 20.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -81.19 114.9 22.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.0 mtm-85 -112.05 146.44 37.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.442 HD12 ' HB2' ' A' ' 111' ' ' TRP . 22.1 mt -122.9 109.23 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.0 t -108.75 123.03 48.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -67.38 136.32 54.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -106.44 171.56 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.4 t -74.4 -37.42 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -93.4 -20.95 19.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.33 -128.57 1.08 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.506 HD12 HD21 ' A' ' 78' ' ' LEU . 60.7 mt -127.96 153.33 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 111.104 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.427 ' N ' HG22 ' A' ' 23' ' ' ILE . 16.3 t-80 -118.12 97.97 6.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.831 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tp -87.39 117.01 25.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.1 p -123.38 155.19 37.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.2 p90 -159.89 177.07 11.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -124.16 154.19 68.41 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.63 0.728 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 169.99 17.58 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 116.7 4.68 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.458 HG23 ' N ' ' A' ' 32' ' ' SER . 7.3 t -51.23 -44.39 61.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.458 ' N ' HG23 ' A' ' 31' ' ' THR . 39.3 t -79.56 143.06 58.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 110.827 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 119.12 6.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.328 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.1 p -95.59 -49.98 5.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.57 -104.31 0.22 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -122.84 88.97 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.776 0.322 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.478 HG21 ' CE1' ' A' ' 40' ' ' TYR . 50.1 mm -64.76 98.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 9.9 mt -67.64 -59.05 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 38' ' ' LEU . 22.9 mt-10 -162.78 171.37 16.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.478 ' CE1' HG21 ' A' ' 37' ' ' ILE . 38.0 m-85 -115.36 168.3 10.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 m -152.72 129.0 10.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.616 ' HB3' ' HB3' ' A' ' 64' ' ' TYR . . . -96.03 158.7 15.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -144.92 157.58 44.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' A' ' 81' ' ' ALA . 3.9 tp -147.62 121.41 9.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.699 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -57.05 128.82 38.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.7 pt -122.26 149.51 25.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' N ' ' HB2' ' A' ' 82' ' ' HIS . 15.7 ttt85 -75.59 149.53 38.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.1 p -149.72 124.07 9.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.27 140.92 25.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -127.54 168.03 15.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 83.6 mmm -131.26 -62.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -68.99 -177.74 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.52 105.87 18.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -118.96 143.78 34.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.625 0.726 . . . . 0.0 110.851 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 174.54 9.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.5 t -45.18 96.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -129.69 141.25 50.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.0 mt -133.0 136.28 45.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.4 p -106.64 135.43 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.699 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 16.7 m-85 -121.57 143.1 49.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 11.2 ptt? -130.06 143.21 50.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -67.58 117.59 9.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.466 HD12 HG22 ' A' ' 73' ' ' VAL . 45.7 pt -103.57 -24.73 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.616 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 34.7 t80 -130.03 132.86 46.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.3 p -125.65 111.92 15.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.82 171.53 39.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.678 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.3 pt? -88.02 -24.39 23.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.02 141.05 29.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.9 p -87.74 40.07 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.184 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.0 m -167.1 145.97 5.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 27.1 p -148.77 167.33 25.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.1 m -121.14 138.02 54.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.466 HG22 HD12 ' A' ' 63' ' ' ILE . 56.0 t -120.91 111.74 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 77.3 p -76.99 168.86 19.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.55 76.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.082 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -42.78 -49.78 6.02 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -69.28 -47.25 65.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.921 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.506 HD21 HD12 ' A' ' 23' ' ' ILE . 16.8 mt -47.6 -47.97 28.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.28 -42.9 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.106 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -72.16 -22.44 61.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.804 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -59.55 134.57 57.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.442 ' HB2' ' N ' ' A' ' 47' ' ' ARG . 7.8 t60 -86.44 133.27 33.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.446 HG21 ' CZ ' ' A' ' 85' ' ' TYR . 46.7 mm -106.73 120.67 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.442 ' CG ' HG22 ' A' ' 86' ' ' THR . 20.5 t0 -74.15 104.87 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.446 ' CZ ' HG21 ' A' ' 83' ' ' ILE . 61.1 m-85 -104.68 42.57 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.442 HG22 ' CG ' ' A' ' 84' ' ' ASP . 10.5 t -113.28 -33.71 5.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.4 m -125.2 -41.75 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.1 ttp180 -165.7 130.95 1.9 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 90.51 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.71 167.13 22.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.548 HD12 ' HE3' ' A' ' 111' ' ' TRP . 62.1 mt -92.16 124.77 44.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.5 t -94.9 110.06 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.418 ' CE2' HG21 ' A' ' 91' ' ' ILE . 12.9 m-85 -103.38 175.13 5.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -160.24 119.88 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.5 mt -125.21 147.37 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -163.22 161.71 25.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.24 158.33 17.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 14.8 ttpt -119.2 123.93 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -125.28 -177.25 3.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 -40.31 -45.96 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -66.73 -62.77 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.54 -137.37 4.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 41.2 m-85 -101.99 120.12 39.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.949 0.404 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.66 -155.76 5.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.432 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 146.09 59.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -110.69 132.94 53.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.6 m -83.58 127.12 33.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -98.69 114.04 26.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.411 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 13.3 tt -111.72 155.98 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 51.3 mtt85 -124.84 101.92 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.548 ' HE3' HD12 ' A' ' 91' ' ' ILE . 20.1 t90 -88.59 111.61 22.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.1 mt -76.06 130.19 37.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -121.75 -179.14 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.58 -146.87 20.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -109.18 114.76 28.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 59.8 p -112.56 108.72 17.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -148.38 136.07 20.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.4 t -72.4 124.22 24.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -83.29 -94.0 0.61 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 162.48 41.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.382 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.9 t -162.38 130.06 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.9 p -53.24 155.51 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.444 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -69.33 119.01 12.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.825 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -124.63 103.54 8.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.85 -171.81 34.32 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 p -145.58 131.95 19.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -154.97 112.91 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.99 159.79 31.98 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.68 16.79 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.34 162.07 13.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.78 144.1 29.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 133.38 25.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -122.94 158.13 31.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m 69.16 47.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.86 121.36 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -114.62 144.75 42.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.4 mt -130.27 125.93 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.166 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.7 m -116.22 149.93 38.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -91.57 122.25 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -116.59 154.55 30.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -53.5 -40.98 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -71.0 -20.93 62.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.72 -124.39 1.48 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.501 HD12 HD21 ' A' ' 78' ' ' LEU . 14.8 mt -118.21 143.62 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.892 0.377 . . . . 0.0 111.114 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 71' ' ' CYS . 6.6 t-80 -115.02 107.69 15.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.535 HD21 HD11 ' A' ' 95' ' ' ILE . 2.8 tp -84.3 124.16 30.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -128.8 163.25 25.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.417 ' CE2' ' HA ' ' A' ' 69' ' ' THR . 31.7 p90 -171.67 178.17 3.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -123.33 155.18 65.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.654 0.74 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 149.41 67.05 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 138.3 37.4 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.1 t -90.46 41.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.4 m -123.88 141.45 36.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.679 0.752 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 86.45 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.246 . . . . 0.0 112.301 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 86.5 p -80.23 -38.35 31.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.45 -73.01 0.34 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -154.18 112.81 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.813 HG21 ' CZ ' ' A' ' 40' ' ' TYR . 29.8 mt -95.01 109.5 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.1 mt -57.6 -57.65 11.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -163.66 164.5 23.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.813 ' CZ ' HG21 ' A' ' 37' ' ' ILE . 5.0 m-85 -111.44 168.91 9.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.8 p -164.97 148.1 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -106.97 165.26 11.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -144.35 147.33 33.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.846 HD21 ' HB2' ' A' ' 81' ' ' ALA . 4.0 tp -136.67 118.97 15.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.488 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -57.39 125.97 25.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.058 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.9 pt -114.01 -178.07 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -80.18 168.27 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.3 p -139.29 146.51 40.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.98 141.33 56.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -54.85 -69.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 31.1 tpp -51.9 101.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -153.97 174.63 14.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -108.19 -71.9 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -38.35 158.25 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.631 0.729 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.449 ' C ' ' OE1' ' A' ' 57' ' ' GLN . 54.2 Cg_endo -69.76 176.32 6.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.258 . . . . 0.0 112.35 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.444 ' C ' ' OE1' ' A' ' 57' ' ' GLN . 5.7 t -73.04 91.24 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 59' ' ' VAL . 6.3 mp0 -123.85 103.54 8.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.431 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 10.6 mt -43.2 92.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 57' ' ' GLN . 7.0 p -79.15 132.69 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 15.0 m-85 -104.36 160.51 14.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.521 ' CE ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -143.87 132.92 22.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 62' ' ' ARG . 17.6 ttp-105 -51.95 136.14 29.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.521 HG22 ' CE ' ' A' ' 61' ' ' MET . 13.8 pt -123.96 -14.63 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 64' ' ' TYR . 0.6 OUTLIER -143.03 144.59 32.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.8 p -125.49 127.02 45.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.63 172.15 24.46 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.527 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.39 14.19 30.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.881 0.372 . . . . 0.0 110.906 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -82.59 150.86 26.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.417 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 80.8 p -93.81 27.0 2.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.3 p -162.19 125.7 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.468 ' O ' ' CD2' ' A' ' 24' ' ' HIS . 12.8 p -129.86 167.79 17.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.4 m -116.43 145.13 43.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.2 t -126.42 113.0 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.7 p -81.97 155.06 25.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.86 -53.21 34.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.61 -34.07 0.24 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -81.58 -50.66 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.501 HD21 HD12 ' A' ' 23' ' ' ILE . 13.9 mt -43.48 -30.73 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.57 -42.83 71.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 81' ' ' ALA . 27.2 p30 -73.54 -23.69 60.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.846 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -61.09 137.13 58.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -86.94 131.5 34.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.594 HG21 ' CZ ' ' A' ' 85' ' ' TYR . 47.2 mm -104.43 123.33 58.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.827 ' OD1' HG23 ' A' ' 86' ' ' THR . 43.5 t0 -86.21 122.15 29.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.594 ' CZ ' HG21 ' A' ' 83' ' ' ILE . 45.2 m-85 -118.58 28.67 8.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.827 HG23 ' OD1' ' A' ' 84' ' ' ASP . 29.5 p -80.2 -51.01 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 t -117.73 -56.1 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -140.4 133.96 15.11 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 92.6 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.25 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -139.39 168.13 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 68.4 mt -101.92 137.56 29.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.7 t -103.6 113.63 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -103.57 176.76 5.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.549 ' HG2' ' HB1' ' A' ' 106' ' ' ALA . 17.3 ttt85 -159.87 126.3 4.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.535 HD11 HD21 ' A' ' 25' ' ' LEU . 16.1 mt -130.71 148.93 33.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -164.32 154.05 14.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.04 132.95 52.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.048 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.444 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 28.9 tttm -94.34 119.4 33.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 -109.86 -175.96 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -51.17 -30.34 16.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.9 mmtm -80.8 -56.62 4.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.44 -137.66 4.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 36.7 m-85 -104.55 120.87 42.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.39 . . . . 0.0 110.949 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -82.81 -149.44 8.29 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 128.6 16.23 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.37 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.549 ' HB1' ' HG2' ' A' ' 94' ' ' ARG . . . -96.82 130.02 44.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 99.6 m -86.57 135.2 33.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -103.52 139.13 39.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 19.6 tt -139.29 129.47 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -99.09 104.08 16.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -87.41 113.74 23.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.0 mt -73.51 125.42 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -70.78 141.03 51.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 145.67 118.26 1.15 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -150.28 176.48 10.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.339 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 59.5 m -115.12 123.97 50.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -73.42 119.31 17.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -132.25 109.16 9.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 68.89 78.26 0.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.523 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 154.8 67.2 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 98.9 p -158.67 156.78 30.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.874 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.4 m -97.27 110.06 22.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.545 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.1 p -114.17 178.37 4.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.36 . . . . 0.0 110.882 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -75.81 132.04 40.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.98 -159.19 29.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.4 p -97.32 160.18 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 110.879 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -124.45 -43.29 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.74 -157.89 27.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -3.8 12.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.23 . . . . 0.0 112.384 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.11 159.78 35.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 105' ' ' PRO . . . -113.73 151.14 44.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.603 0.716 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 149.87 67.6 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 m -136.35 168.57 19.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 13' ' ' THR . 11.6 m 53.16 50.35 17.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.457 HG22 ' CB ' ' A' ' 27' ' ' TRP . 77.2 t -80.01 133.22 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -123.29 144.75 49.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.7 mt -129.05 121.06 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -124.35 132.71 53.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -67.8 132.72 47.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -108.96 168.74 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.68 -38.24 44.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -100.52 18.07 20.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.94 -147.17 18.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.628 HD12 HD21 ' A' ' 78' ' ' LEU . 63.5 mt -113.21 139.05 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 111.092 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -103.44 97.8 7.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.504 HD23 ' HZ3' ' A' ' 27' ' ' TRP . 2.6 tp -87.82 117.29 26.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.4 p -124.04 155.48 38.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.504 ' HZ3' HD23 ' A' ' 25' ' ' LEU . 34.5 p90 -160.9 163.39 31.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -99.86 151.25 37.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.635 0.731 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 152.44 68.96 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.653 2.235 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 115.39 4.08 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.71 2.274 . . . . 0.0 112.346 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.7 t -87.58 40.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 p -106.18 152.8 40.54 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.692 0.758 . . . . 0.0 110.842 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' SER . 54.3 Cg_endo -69.77 2.99 3.04 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.655 2.236 . . . . 0.0 112.367 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' PRO . 62.1 m -34.32 -44.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.49 -124.91 3.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -103.75 166.75 10.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.337 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.786 HG21 ' CE1' ' A' ' 40' ' ' TYR . 13.0 mm -125.91 115.11 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.7 mt -64.65 -65.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.943 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -150.3 175.31 11.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.786 ' CE1' HG21 ' A' ' 37' ' ' ILE . 31.2 m-85 -124.73 165.96 17.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.9 m -163.91 157.8 19.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -133.03 143.15 49.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -119.94 137.44 54.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.942 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.719 ' CB ' HG21 ' A' ' 63' ' ' ILE . 51.9 tp -101.92 130.7 48.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -67.37 99.44 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.497 HG21 ' CE ' ' A' ' 61' ' ' MET . 12.7 pt -107.92 174.4 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.19 144.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.835 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 t -117.64 127.32 53.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.43 116.75 24.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -133.68 50.66 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 72.23 26.54 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -69.52 105.44 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -72.74 -20.19 61.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -134.9 143.1 44.8 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 171.62 14.14 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.739 2.293 . . . . 0.0 112.337 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 57' ' ' GLN . 22.2 p -156.01 154.04 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 56' ' ' SER . 36.5 mt-30 -34.89 101.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.9 mt -38.79 135.07 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.1 p -97.7 147.73 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.539 ' CD2' ' HG3' ' A' ' 94' ' ' ARG . 13.7 m-85 -122.81 159.46 28.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.497 ' CE ' HG21 ' A' ' 46' ' ' ILE . 7.1 ptt? -150.28 143.51 24.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -58.81 131.35 50.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.719 HG21 ' CB ' ' A' ' 44' ' ' LEU . 11.0 pt -123.76 -2.2 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -156.52 133.76 10.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.8 m -125.74 106.28 9.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.46 -165.67 26.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.516 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.62 10.2 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.857 0.361 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -78.62 171.81 14.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.1 p -102.34 0.64 34.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.7 m -153.47 127.93 9.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 15.5 p -127.59 166.52 17.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.1 m -114.16 134.69 54.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.6 t -105.2 140.5 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 68.6 p -96.18 153.28 17.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.585 ' HA ' HD12 ' A' ' 78' ' ' LEU . . . -57.97 -46.71 84.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -41.85 -42.54 3.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -78.08 -41.9 33.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.628 HD21 HD12 ' A' ' 23' ' ' ILE . 21.1 mt -49.92 -40.49 43.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.22 -36.89 6.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -78.28 -25.13 46.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.477 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -58.28 108.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -75.14 125.58 29.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.2 mt -92.82 125.85 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -75.57 95.18 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 89' ' ' PRO . 39.0 m-85 -91.83 30.63 1.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.4 m -86.87 -64.93 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -100.88 -45.18 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.401 ' CD ' HD21 ' A' ' 112' ' ' LEU . 15.6 ttm180 -151.96 135.71 9.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.423 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.76 91.98 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.89 165.39 27.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 66.7 mt -100.57 129.35 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -92.3 117.82 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.487 ' HB2' ' CG2' ' A' ' 109' ' ' ILE . 16.5 m-85 -105.87 173.82 6.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.539 ' HG3' ' CD2' ' A' ' 60' ' ' PHE . 12.0 mmm-85 -147.18 127.89 14.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.435 HG13 ' C ' ' A' ' 94' ' ' ARG . 18.5 mt -142.62 139.97 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.8 t -164.04 164.58 22.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.827 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.17 142.73 32.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 62.9 tttt -100.3 126.33 46.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -103.14 175.83 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -41.01 -33.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -89.1 -51.67 5.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 163.88 -158.39 30.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 96.4 m-85 -79.21 144.85 34.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.379 . . . . 0.0 110.941 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -123.29 -98.22 1.34 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.491 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . 54.4 Cg_endo -69.73 125.05 11.71 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.405 ' HB1' ' HE ' ' A' ' 94' ' ' ARG . . . -111.8 138.68 48.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.4 m -107.88 138.1 44.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -110.53 132.51 54.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.487 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 13.6 tt -131.25 154.56 40.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -120.49 134.9 55.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -113.73 114.63 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.401 HD21 ' CD ' ' A' ' 88' ' ' ARG . 55.9 mt -81.99 103.64 11.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -68.24 122.7 18.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 115' ' ' ASN . . . -163.88 -40.81 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 114' ' ' GLY . 15.6 t-20 -35.49 -40.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 77.4 p -133.33 -176.15 4.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 118' ' ' SER . 17.0 ttmm -155.6 126.28 6.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 117' ' ' LYS . 57.2 m -35.79 126.65 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -51.47 145.92 12.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 112.5 3.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.2 p -166.97 143.15 4.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.3 m -65.12 144.04 57.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 m -71.45 168.95 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 0.0 110.873 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 p -124.03 -54.57 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.58 -98.18 0.21 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.443 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m 62.5 41.55 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -101.79 94.9 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.2 -158.72 10.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 138.91 39.16 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.76 -179.56 2.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.48 143.98 27.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HG3' HG22 ' A' ' 95' ' ' ILE . 53.5 Cg_endo -69.74 133.75 26.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.0 t -117.54 172.81 7.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.3 m 63.9 48.3 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.8 t -80.07 109.95 15.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -106.08 133.78 50.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.6 mt -121.0 121.45 65.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.9 m -125.47 143.28 51.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -68.5 133.11 48.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -113.01 150.36 32.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.05 -27.53 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -94.85 -14.82 24.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.1 -108.49 0.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.47 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.649 HD12 HD21 ' A' ' 78' ' ' LEU . 61.3 mt -129.71 133.59 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 0.0 111.149 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -103.06 98.79 8.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.696 HD23 ' HZ3' ' A' ' 27' ' ' TRP . 1.9 tp -86.17 137.85 32.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 m -153.02 142.59 21.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.696 ' HZ3' HD23 ' A' ' 25' ' ' LEU . 48.2 p90 -149.18 172.71 14.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -111.21 150.1 41.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 160.61 49.07 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.396 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 132.56 23.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.725 2.283 . . . . 0.0 112.286 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 t -86.4 4.91 37.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -88.95 149.76 44.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.695 0.759 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 106.33 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.644 2.229 . . . . 0.0 112.363 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.8 p -122.3 -36.96 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.72 -123.74 4.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.448 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -113.37 113.79 25.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mm -85.94 97.71 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.7 mt -38.49 -72.29 0.06 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -144.51 -175.45 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -120.92 167.54 12.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -156.7 133.27 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -114.67 143.38 45.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -128.59 159.1 36.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.788 HD21 ' HB2' ' A' ' 81' ' ' ALA . 16.1 tp -142.2 120.37 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.55 126.14 18.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.412 ' CG2' ' HG2' ' A' ' 61' ' ' MET . 14.0 pt -112.64 -176.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -61.87 173.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.1 t -136.55 140.04 42.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.69 146.87 9.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -76.42 141.02 41.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -160.16 121.7 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -42.95 109.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.9 t0 64.08 53.51 1.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -73.23 134.04 80.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.681 0.753 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 160.15 50.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.26 . . . . 0.0 112.367 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 61.1 m -61.19 99.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -130.44 150.23 51.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.1 mt -136.8 119.19 15.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.0 t -94.76 120.42 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.558 ' CD2' ' HD2' ' A' ' 94' ' ' ARG . 77.3 m-85 -107.13 124.59 49.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.412 ' HG2' ' CG2' ' A' ' 46' ' ' ILE . 4.0 ptt? -120.01 145.07 47.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -65.87 129.64 40.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.682 HD12 HG22 ' A' ' 73' ' ' VAL . 27.8 pt -111.73 -30.31 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -125.04 137.23 54.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.2 p -124.32 124.37 42.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.22 -163.66 36.98 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.37 11.18 8.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.485 ' HD3' ' N ' ' A' ' 69' ' ' THR . 7.6 tmtm? -100.79 153.07 19.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.485 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 70.4 p -82.44 20.99 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 p -124.18 133.05 53.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 72' ' ' THR . 0.1 OUTLIER -127.57 160.74 30.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.512 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 25.8 m -130.36 133.47 46.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.682 HG22 HD12 ' A' ' 63' ' ' ILE . 25.4 t -127.15 116.87 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.8 p -85.21 170.98 12.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.47 -60.69 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.086 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -40.39 -44.53 3.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -68.86 -44.65 72.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.854 0.359 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.649 HD21 HD12 ' A' ' 23' ' ' ILE . 20.0 mt -51.24 -41.8 60.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.41 -39.34 32.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -73.24 -21.51 60.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.788 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -58.9 116.15 3.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -72.81 120.58 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 76.9 mt -103.07 140.22 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 84' ' ' ASP . 4.0 t0 -97.57 95.04 7.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 86' ' ' THR . 37.2 m-85 -76.2 -32.18 58.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 85' ' ' TYR . 83.2 m -36.15 -62.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.2 p -89.81 -68.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.488 ' NE ' HD21 ' A' ' 112' ' ' LEU . 31.0 ttp180 -150.19 139.35 13.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.642 0.734 . . . . 0.0 110.831 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 88' ' ' ARG . 52.9 Cg_endo -69.81 92.7 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.265 . . . . 0.0 112.3 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.8 152.39 49.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.593 HG21 ' CZ ' ' A' ' 93' ' ' PHE . 79.8 mt -86.53 116.23 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.05 104.23 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.732 ' CE1' HD13 ' A' ' 44' ' ' LEU . 47.3 m-85 -98.46 174.99 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.558 ' HD2' ' CD2' ' A' ' 60' ' ' PHE . 16.7 mtt180 -150.88 130.06 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.565 HG22 ' HG3' ' A' ' 11' ' ' PRO . 20.0 mt -133.13 135.14 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.2 t -156.11 165.71 35.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -118.29 138.38 52.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.143 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 55.6 tttt -101.77 117.23 34.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -109.38 172.36 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -38.85 -36.17 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -77.03 -61.42 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 174.65 -166.0 37.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.503 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 15.9 m-85 -76.73 131.59 38.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.943 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -82.3 -158.2 22.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 132.26 23.04 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.262 . . . . 0.0 112.361 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -92.66 122.59 35.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 52.3 m -78.96 131.54 36.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -97.36 121.2 38.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 14.8 tt -126.4 133.12 69.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -108.95 114.98 29.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.506 ' HE3' HD12 ' A' ' 91' ' ' ILE . 24.6 t90 -103.58 102.82 12.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.488 HD21 ' NE ' ' A' ' 88' ' ' ARG . 24.0 mt -57.03 111.59 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -66.65 112.3 4.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -178.92 133.72 2.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -114.83 109.71 18.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.37 . . . . 0.0 110.905 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.5 m -76.95 -44.67 30.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -132.53 135.74 46.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.9 t -41.45 -44.49 2.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 158.28 147.34 4.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 110.6 2.61 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.2 m -75.84 168.24 20.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.3 m -87.45 93.5 9.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -125.21 155.54 39.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -140.32 108.79 5.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.76 165.46 34.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.9 p -113.42 40.42 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.894 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 m -115.61 94.23 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.58 177.09 6.29 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -7.39 20.96 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.681 2.254 . . . . 0.0 112.347 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.07 139.29 5.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.484 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -73.73 157.5 87.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 0.0 111.053 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.484 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 54.5 Cg_endo -69.7 150.62 68.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 t -117.76 169.17 9.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 m 49.62 51.67 16.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.16 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.498 HG22 ' CB ' ' A' ' 27' ' ' TRP . 90.2 t -91.09 108.86 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -122.27 155.61 35.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.595 HG12 HD12 ' A' ' 25' ' ' LEU . 77.0 mt -122.07 121.16 63.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.6 t -111.66 143.8 41.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -80.39 115.68 20.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -92.77 162.59 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 m -69.9 -15.4 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -101.16 -23.98 14.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.67 -103.32 0.19 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.477 ' CD1' HD11 ' A' ' 78' ' ' LEU . 62.8 mt -129.55 144.59 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 111.169 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -118.67 98.97 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.595 HD12 HG12 ' A' ' 16' ' ' ILE . 1.5 tp -86.16 120.04 27.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 m -130.47 155.6 46.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.498 ' CB ' HG22 ' A' ' 14' ' ' VAL . 49.4 p90 -158.46 -179.26 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -128.16 153.39 78.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.667 0.746 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 146.57 60.23 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.25 . . . . 0.0 112.352 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 118.08 5.47 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.709 2.272 . . . . 0.0 112.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.9 t -67.03 -4.82 10.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 p -67.75 143.13 96.41 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 81.92 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.1 p -84.08 -46.97 11.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.45 -69.39 0.25 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -118.87 110.57 17.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.3 mm -97.86 109.73 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.3 mt -91.65 169.23 10.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -43.45 155.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -98.87 164.47 12.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 t -151.16 121.35 7.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.803 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -100.03 146.7 26.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 3.9 m-85 -132.3 163.55 28.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.971 HD13 ' CE1' ' A' ' 93' ' ' PHE . 49.0 tp -137.67 131.33 31.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.93 117.95 5.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.633 HD13 ' HG2' ' A' ' 61' ' ' MET . 8.5 pt -126.99 -175.61 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 48' ' ' THR . 3.0 tmt_? -111.28 88.69 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 48' ' ' THR . 8.8 t -34.49 123.16 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.89 169.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.32 89.7 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.6 mtp -100.94 -50.23 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -141.9 170.52 15.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -73.77 73.9 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -151.22 149.65 25.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.644 0.735 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.419 ' OG ' HG22 ' A' ' 48' ' ' THR . 3.3 m -119.46 136.49 54.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' LEU . 22.1 mt-30 -121.18 69.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' GLN . 20.5 mt 37.39 46.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.99 117.69 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -90.99 141.27 29.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.633 ' HG2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -125.32 141.55 52.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -54.26 136.67 42.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.455 HD12 HG22 ' A' ' 73' ' ' VAL . 22.0 pt -126.63 -11.17 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.449 ' CD2' ' HB2' ' A' ' 71' ' ' CYS . 3.3 t80 -155.29 139.26 16.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.0 p -125.92 114.0 17.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.04 161.52 25.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.744 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.1 pt? -85.09 -8.42 58.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -68.04 148.59 50.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.9 p -89.52 36.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -165.9 156.31 12.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.449 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 18.2 p -155.79 171.98 19.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.8 m -122.98 130.79 53.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.455 HG22 HD12 ' A' ' 63' ' ' ILE . 86.4 t -115.51 106.13 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.6 p -71.06 172.21 9.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.68 -48.15 82.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -43.2 -45.95 6.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.409 ' OE1' HG13 ' A' ' 73' ' ' VAL . 73.3 mt-30 -65.18 -40.81 94.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' A' ' 23' ' ' ILE . 14.0 mt -58.71 -28.74 66.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.5 -28.19 68.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -92.78 -12.96 29.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.945 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -67.18 128.91 38.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -86.94 137.98 31.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 98.2 mt -109.83 136.62 45.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -87.06 100.13 12.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.43 ' CE1' ' HB3' ' A' ' 89' ' ' PRO . 33.8 m-85 -99.12 35.34 1.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 70.8 p -94.72 -52.21 4.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.3 m -119.09 -45.32 2.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.504 ' CD ' HD21 ' A' ' 112' ' ' LEU . 16.4 ttm180 -148.95 128.38 6.35 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.43 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.75 91.21 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.242 . . . . 0.0 112.381 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.615 ' HB2' HD23 ' A' ' 112' ' ' LEU . . . -141.69 146.92 36.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.7 mt -86.27 134.88 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.9 t -102.21 142.01 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.971 ' CE1' HD13 ' A' ' 44' ' ' LEU . 30.0 m-85 -132.17 170.81 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.53 ' HE ' ' HB1' ' A' ' 106' ' ' ALA . 0.5 OUTLIER -145.41 141.26 28.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.494 HD11 HD21 ' A' ' 25' ' ' LEU . 47.7 mt -146.9 126.67 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.0 173.42 14.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.57 ' C ' ' CD2' ' A' ' 103' ' ' TYR . . . -125.35 149.12 48.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 103' ' ' TYR . 18.4 ttmt -86.59 137.26 32.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 99' ' ' ASN . 18.7 t-20 -88.64 -74.55 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -129.15 -49.71 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.45 -29.28 5.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -150.02 -173.36 20.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.57 ' CD2' ' C ' ' A' ' 97' ' ' ALA . 1.8 m-85 -98.38 177.27 5.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.936 0.398 . . . . 0.0 110.897 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -115.45 -119.32 3.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 127.2 14.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.638 2.225 . . . . 0.0 112.335 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.53 ' HB1' ' HE ' ' A' ' 94' ' ' ARG . . . -99.98 123.72 44.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.084 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.48 151.42 39.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -129.91 111.44 12.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.9 tt -112.79 153.86 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -122.46 112.68 18.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -97.73 84.79 3.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.615 HD23 ' HB2' ' A' ' 90' ' ' ALA . 18.9 mt -59.41 97.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 89' ' ' PRO . 0.1 OUTLIER -73.86 137.95 44.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 155.76 49.04 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -119.56 126.54 51.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.5 t -85.45 108.65 17.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -129.22 101.29 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.6 t -121.85 96.21 4.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -124.44 -167.76 12.73 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.54 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 88.05 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.6 t -140.16 132.29 28.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.4 m -161.83 146.79 13.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -144.09 179.7 7.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -101.62 -57.58 2.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.02 -77.07 0.11 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 t -162.92 141.61 8.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 m -113.1 113.93 26.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.19 173.04 23.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.525 ' HB2' ' HB3' ' A' ' 97' ' ' ALA . 53.5 Cg_endo -69.76 170.73 15.89 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.669 2.246 . . . . 0.0 112.367 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.22 134.77 12.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.39 150.31 82.39 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.582 0.706 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.506 ' HB3' ' CD1' ' A' ' 27' ' ' TRP . 53.8 Cg_endo -69.71 128.12 15.62 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.362 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.9 t -110.37 170.56 8.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.4 m 56.44 48.19 17.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.601 HG22 ' CB ' ' A' ' 27' ' ' TRP . 99.1 t -80.02 120.46 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -121.81 142.59 50.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.654 HD12 ' HB2' ' A' ' 111' ' ' TRP . 7.8 mt -118.65 119.79 62.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.7 t -113.35 138.15 50.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -77.04 116.71 17.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -101.03 157.18 16.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -61.7 -25.66 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -90.39 -18.36 25.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.97 -111.89 0.5 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.779 HD12 HD21 ' A' ' 78' ' ' LEU . 64.8 mt -129.66 133.76 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 111.124 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -108.46 99.87 9.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.716 HD21 HD11 ' A' ' 95' ' ' ILE . 2.0 tp -79.04 131.55 36.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.0 m -141.2 149.56 41.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.601 ' CB ' HG22 ' A' ' 14' ' ' VAL . 47.5 p90 -155.58 169.74 23.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -110.7 148.23 38.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 157.08 61.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 151.84 69.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.32 -42.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.485 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -70.77 -60.77 2.81 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.68 0.752 . . . . 0.0 110.852 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 32' ' ' SER . 53.7 Cg_endo -69.8 -166.11 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' PRO . 1.4 t -35.13 142.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -102.87 -38.54 2.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.441 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -73.69 118.6 16.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.865 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.709 HG21 ' CZ ' ' A' ' 40' ' ' TYR . 5.3 mm -129.53 93.82 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.4 mt -44.21 -60.34 1.95 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -150.71 174.18 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.709 ' CZ ' HG21 ' A' ' 37' ' ' ILE . 90.0 m-85 -123.86 165.47 17.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -157.94 139.39 13.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.533 ' C ' ' CD1' ' A' ' 43' ' ' TYR . . . -112.45 156.76 22.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.07 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.533 ' CD1' ' C ' ' A' ' 42' ' ' ALA . 1.6 m-85 -143.94 151.81 40.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.966 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.013 HD13 ' CE1' ' A' ' 93' ' ' PHE . 13.5 tp -128.99 130.31 46.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.631 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -64.47 135.31 55.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.11 178.09 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -107.91 127.44 53.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.8 p -133.39 157.94 44.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.18 107.81 18.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -163.87 131.2 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.6 ttm -69.45 149.27 48.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -160.18 177.55 10.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -127.62 38.82 3.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -114.42 151.35 45.06 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.644 0.735 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -46.22 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.694 2.263 . . . . 0.0 112.37 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 t -152.87 110.1 3.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -127.96 150.53 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.5 mt -139.12 109.47 6.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 59' ' ' VAL . 7.4 p -80.79 119.68 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.631 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 52.8 m-85 -104.99 115.18 29.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -94.25 137.97 32.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -63.05 135.86 57.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.3 pt -125.53 -4.26 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -149.33 133.6 17.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.4 p -125.86 109.58 12.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.06 -178.61 48.84 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.71 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.2 pt? -105.55 -8.26 18.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.93 0.395 . . . . 0.0 110.915 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -68.27 147.22 52.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.7 p -94.28 36.23 1.15 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.8 p -163.78 125.24 2.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.5 p -133.04 171.15 14.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.0 m -124.96 130.79 53.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.8 t -104.39 117.65 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 64.9 p -77.1 164.54 25.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.67 98.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.63 -36.79 25.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -80.3 -38.88 29.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.779 HD21 HD12 ' A' ' 23' ' ' ILE . 37.6 mt -56.02 -39.42 71.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.63 -38.16 59.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.062 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -80.65 -15.73 55.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.658 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -61.11 114.4 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.064 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -78.65 119.29 21.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.7 mt -90.89 128.67 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -73.37 113.53 10.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -107.46 31.49 5.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.7 t -102.35 -28.6 12.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.193 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 m -132.59 -48.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.8 mtm-85 -152.52 127.92 4.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.582 0.706 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 81.77 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.67 2.247 . . . . 0.0 112.319 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.412 ' HB1' ' C ' ' A' ' 111' ' ' TRP . . . -136.95 166.24 24.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 80.0 mt -86.13 120.34 35.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 97.8 t -92.89 124.58 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 1.013 ' CE1' HD13 ' A' ' 44' ' ' LEU . 36.8 m-85 -114.9 166.05 12.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.409 ' CG ' ' CE2' ' A' ' 60' ' ' PHE . 21.1 mmt180 -142.43 119.77 11.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.716 HD11 HD21 ' A' ' 25' ' ' LEU . 16.4 mt -128.61 144.45 37.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.1 t -156.14 174.21 15.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.527 ' HB1' HG23 ' A' ' 37' ' ' ILE . . . -111.79 158.8 18.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.545 ' HG3' ' CE1' ' A' ' 103' ' ' TYR . 19.8 tttp -111.05 132.45 54.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 100' ' ' GLU . 39.7 m-20 -122.59 166.12 15.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' ASN . 22.5 tt0 -36.44 -38.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 102' ' ' GLY . 1.0 OUTLIER -85.22 -52.66 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.4 ' N ' ' HG3' ' A' ' 101' ' ' LYS . . . 161.95 -159.57 31.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.545 ' CE1' ' HG3' ' A' ' 98' ' ' LYS . 88.0 m-85 -85.11 158.03 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.944 0.402 . . . . 0.0 110.955 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -143.17 -95.06 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.422 ' CG ' ' O ' ' A' ' 8' ' ' PRO . 54.5 Cg_endo -69.68 125.4 12.14 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.68 2.253 . . . . 0.0 112.39 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.07 158.35 21.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.13 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 94.1 m -118.45 132.74 56.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -113.12 130.56 56.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.41 ' CG1' ' N ' ' A' ' 110' ' ' ARG . 16.0 tt -121.16 162.86 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.41 ' N ' ' CG1' ' A' ' 109' ' ' ILE . 52.2 mtt180 -129.9 104.74 7.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.654 ' HB2' HD12 ' A' ' 16' ' ' ILE . 8.8 t90 -101.2 104.4 15.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.7 mt -72.0 123.11 22.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -50.35 137.31 18.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -97.13 99.94 2.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -58.4 100.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 79.7 p -167.32 142.96 4.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -92.89 104.13 16.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.7 p -46.54 -38.63 9.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 75.67 165.39 17.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.504 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 167.1 25.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.281 . . . . 0.0 112.329 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 99.4 p -133.33 23.41 4.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.3 m -161.02 134.47 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.458 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 m -122.64 144.35 49.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t -131.92 148.71 52.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.38 78.07 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -138.91 139.88 38.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.828 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 m 50.08 42.02 24.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.76 -157.47 14.08 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.53 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -179.24 2.76 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.692 2.261 . . . . 0.0 112.332 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.57 -167.38 39.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.456 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.443 ' HB1' ' HD2' ' A' ' 11' ' ' PRO . . . -103.04 155.88 36.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.443 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 53.5 Cg_endo -69.74 124.22 10.88 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.32 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -110.13 159.97 16.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.5 m 63.89 44.83 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.4 t -83.37 105.59 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -106.6 150.14 26.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.7 mt -132.1 134.26 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -135.02 124.22 24.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -68.98 126.06 28.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -107.87 164.85 11.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.0 t -61.65 -41.79 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -71.41 -29.0 64.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.72 -117.83 0.68 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.701 HD12 HD21 ' A' ' 78' ' ' LEU . 65.6 mt -125.59 143.11 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -111.4 114.15 27.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tp -104.78 124.55 49.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.4 p -131.75 146.78 52.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.46 ' NE1' ' HA ' ' A' ' 69' ' ' THR . 49.4 p90 -147.25 -176.24 5.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -147.75 155.03 44.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 157.42 60.47 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -49.54 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.38 159.3 42.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.475 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -72.6 -60.79 1.9 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 110.848 -179.833 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.481 ' O ' ' N ' ' A' ' 35' ' ' GLY . 53.4 Cg_endo -69.84 2.9 3.16 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.665 2.243 . . . . 0.0 112.354 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 33' ' ' PRO . 55.7 p -34.17 -34.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . 133.49 -145.21 17.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -107.65 87.93 2.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.348 . . . . 0.0 110.915 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 38' ' ' LEU . 83.3 mt -79.28 88.41 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 37' ' ' ILE . 84.6 mt -34.36 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -146.48 156.79 43.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -97.61 169.04 9.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.2 t -143.29 136.07 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.75 110.49 16.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -96.56 152.6 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 81' ' ' ALA . 8.9 tp -134.44 106.4 7.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.673 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -35.98 132.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 44' ' ' LEU . 34.4 pt -126.34 139.18 52.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 48' ' ' THR . 5.1 tmm_? -63.18 139.81 58.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.455 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 9.5 t -61.4 147.8 43.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.61 41.55 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -166.15 152.83 9.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.8 mtp -104.14 121.38 43.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.14 123.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.14 103.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.7 p30 -137.14 151.69 72.29 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.601 0.715 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 172.34 12.83 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.701 2.268 . . . . 0.0 112.38 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m -53.2 101.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -146.08 141.24 27.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.1 mt -132.3 120.93 22.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.2 t -85.34 135.53 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.673 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 44.5 m-85 -116.48 141.38 48.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -128.82 153.29 47.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 ttp-105 -76.33 127.05 32.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 64' ' ' TYR . 43.1 pt -111.92 -36.14 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.468 ' N ' HG13 ' A' ' 63' ' ' ILE . 11.9 t80 -125.13 135.25 52.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.4 p -127.93 121.68 30.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 168.25 -170.82 42.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.65 18.18 8.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' SER . 20.9 tptt -77.17 8.38 4.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.46 ' HA ' ' NE1' ' A' ' 27' ' ' TRP . 3.4 p 41.61 24.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' LYS . 87.3 p -171.76 144.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.437 ' HB3' ' CD2' ' A' ' 64' ' ' TYR . 15.2 p -150.63 172.01 16.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.8 m -124.75 131.75 53.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.103 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.4 t -107.06 135.73 44.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.0 p -98.15 171.9 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -59.53 -54.33 47.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.057 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.15 -57.07 1.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -66.62 -43.1 85.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.949 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.701 HD21 HD12 ' A' ' 23' ' ' ILE . 13.6 mt -47.48 -44.9 25.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.89 -39.39 18.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -71.71 -26.66 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.67 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -56.45 141.27 43.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 2.5 t60 -93.3 116.18 28.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 86.6 mt -94.01 126.22 46.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -86.02 120.99 28.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.463 ' CE1' ' HB3' ' A' ' 89' ' ' PRO . 55.5 m-85 -114.09 40.19 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.1 m -87.37 -58.9 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.8 p -113.8 -45.45 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -147.19 132.68 9.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 110.837 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.463 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.81 97.31 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.658 ' HB2' HD23 ' A' ' 112' ' ' LEU . . . -141.9 155.53 45.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.7 mt -88.3 139.25 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.3 t -95.17 140.87 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.503 ' CE1' HD13 ' A' ' 44' ' ' LEU . 48.3 m-85 -139.07 146.84 41.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -131.41 135.89 47.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 32.1 mt -140.9 143.12 29.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 77.8 p -152.65 174.96 13.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -127.11 131.37 50.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -111.51 131.96 54.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -102.01 -71.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -130.97 -59.0 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -65.9 -58.95 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -175.48 -156.05 13.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -93.2 146.62 23.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.922 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.09 -133.71 2.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 133.66 26.11 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.704 2.269 . . . . 0.0 112.383 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.93 122.63 43.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 89.3 m -84.98 137.17 33.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -109.86 118.38 36.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.4 tt -119.51 141.46 39.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -109.57 93.87 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 22.8 t90 -75.71 118.13 18.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.658 HD23 ' HB2' ' A' ' 90' ' ' ALA . 71.2 mt -74.93 121.05 21.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -56.04 119.32 5.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.61 171.69 54.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -126.01 83.49 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.1 p -162.74 145.97 11.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -142.72 106.11 4.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.8 t -134.75 156.8 48.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.4 ' HA2' ' HD2' ' A' ' 120' ' ' PRO . . . 160.04 98.35 0.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.476 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.4 ' HD2' ' HA2' ' A' ' 119' ' ' GLY . 53.6 Cg_endo -69.72 173.48 10.87 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.331 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.8 t -66.2 120.25 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 123' ' ' GLY . 1.5 t -166.32 150.9 7.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 122' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.531 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -89.28 42.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.825 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -71.64 92.42 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.47 -45.37 0.32 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -79.79 44.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -71.29 -45.59 62.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.6 144.86 17.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -3.25 11.66 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.233 . . . . 0.0 112.37 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.55 152.88 0.32 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.88 152.29 50.95 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.592 0.71 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.403 ' HG3' HG22 ' A' ' 95' ' ' ILE . 54.2 Cg_endo -69.76 153.53 68.82 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.0 m -135.83 158.92 43.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 m 70.24 45.06 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.6 t -74.21 130.58 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -132.38 131.44 41.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.8 mt -114.45 132.85 62.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.1 m -123.49 127.55 48.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -67.64 127.07 31.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -111.96 145.24 39.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.7 t -51.45 -40.55 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -72.52 -29.83 63.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.63 -121.41 0.87 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.762 HD12 HD21 ' A' ' 78' ' ' LEU . 79.7 mt -118.4 141.47 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -118.26 102.82 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.718 HD21 HD11 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -87.33 141.56 28.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -150.25 161.54 42.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.477 ' CE2' ' HA ' ' A' ' 69' ' ' THR . 41.5 p90 -170.97 171.57 5.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -117.42 149.98 45.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.602 0.715 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 159.95 51.52 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.663 2.242 . . . . 0.0 112.364 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 159.36 53.67 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.323 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.1 t -81.59 -34.6 30.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 t -39.02 145.39 0.38 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.699 0.761 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 35' ' ' GLY . 53.1 Cg_endo -69.74 8.79 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.301 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -56.05 83.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -89.68 43.46 2.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -131.66 28.46 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.5 mt -86.6 91.49 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.3 mt -52.84 -66.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.426 ' HG3' HD22 ' A' ' 67' ' ' LEU . 24.2 mp0 -148.68 166.78 27.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -103.96 164.77 11.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 t -143.88 149.02 36.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.25 115.87 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.073 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -103.03 145.67 29.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.967 HD21 ' HB2' ' A' ' 81' ' ' ALA . 11.1 tp -129.91 115.7 17.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . . . -55.44 135.14 50.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.541 HD12 ' HG2' ' A' ' 61' ' ' MET . 0.2 OUTLIER -121.71 152.04 25.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.408 ' HD2' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -64.34 155.04 33.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.8 t -133.09 147.23 52.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 87.42 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.104 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -141.36 159.94 41.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.464 ' HG3' ' N ' ' A' ' 52' ' ' GLN . 21.8 ptm -114.75 -40.75 3.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.464 ' N ' ' HG3' ' A' ' 51' ' ' MET . 34.9 mt-30 -65.68 125.75 26.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 8.9 p-10 -47.62 105.22 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -59.26 147.94 73.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.716 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -167.23 0.21 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.3 m -79.98 45.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -125.24 151.0 46.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.573 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 15.2 mt -146.8 109.85 4.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.8 t -80.0 136.52 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CE1' ' O ' ' A' ' 58' ' ' LEU . 19.9 m-85 -118.62 140.81 49.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.541 ' HG2' HD12 ' A' ' 46' ' ' ILE . 5.0 ptt? -106.46 145.56 31.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -73.41 120.32 18.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 64' ' ' TYR . 41.6 pt -107.26 -37.8 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.51 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 1.7 t80 -130.0 137.72 50.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.3 t -129.11 106.87 9.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.31 159.26 22.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.479 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.56 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -93.16 21.84 5.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.903 0.382 . . . . 0.0 110.975 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -75.53 7.3 3.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.477 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 25.4 p 43.78 26.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.1 m -159.31 155.45 26.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.491 ' SG ' ' CD1' ' A' ' 64' ' ' TYR . 68.5 m -144.3 169.86 17.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.6 m -135.91 123.82 22.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.612 HG12 ' HG ' ' A' ' 78' ' ' LEU . 73.7 t -124.21 121.4 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 48.0 p -101.78 175.1 5.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -47.12 -54.46 10.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.69 -62.62 0.79 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.495 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -66.87 -45.84 76.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.762 HD21 HD12 ' A' ' 23' ' ' ILE . 23.7 mt -44.83 -45.26 10.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.0 -39.56 20.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -72.44 -28.84 63.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.967 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -71.03 137.01 48.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.557 ' CD2' ' OD1' ' A' ' 84' ' ' ASP . 7.4 p-80 -81.08 146.33 30.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 50.1 mm -108.6 106.45 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.557 ' OD1' ' CD2' ' A' ' 82' ' ' HIS . 7.1 m-20 -74.2 97.65 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 87' ' ' SER . 33.5 m-85 -83.94 20.87 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.964 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.6 m -59.13 78.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 85' ' ' TYR . 1.1 t 53.59 25.04 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.441 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 34.9 ttm180 -178.98 104.99 0.2 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.708 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.4 Cg_endo -69.79 94.79 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.316 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 112' ' ' LEU . . . -142.22 173.19 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.3 mt -111.97 133.7 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.8 HG13 ' CD ' ' A' ' 108' ' ' GLN . 57.5 t -90.88 121.08 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.583 ' CE1' HD13 ' A' ' 44' ' ' LEU . 54.6 m-85 -117.67 155.67 29.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.448 ' C ' HG13 ' A' ' 95' ' ' ILE . 9.7 ttt180 -133.16 136.93 46.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.718 HD11 HD21 ' A' ' 25' ' ' LEU . 30.3 mt -143.13 134.08 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.5 t -148.48 165.13 32.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.24 140.07 38.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 39.4 tttp -98.32 130.82 44.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.451 ' ND2' ' HB2' ' A' ' 101' ' ' LYS . 16.0 p-10 -127.37 169.03 14.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' ASN . 15.6 mt-10 -37.73 -40.03 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.451 ' HB2' ' ND2' ' A' ' 99' ' ' ASN . 0.5 OUTLIER -68.16 -63.12 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 176.96 -97.04 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 25.3 m-85 -141.33 122.46 14.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.391 . . . . 0.0 110.938 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.38 -151.67 3.12 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 127.53 14.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -89.28 153.82 20.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.067 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.3 m -116.62 135.55 53.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.8 ' CD ' HG13 ' A' ' 92' ' ' VAL . 0.2 OUTLIER -107.21 145.97 31.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.1 tt -145.12 144.4 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.416 HH11 ' NE2' ' A' ' 108' ' ' GLN . 0.8 OUTLIER -106.99 117.14 33.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 26.3 t90 -107.87 98.28 7.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 90' ' ' ALA . 3.8 mt -44.55 126.27 5.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.55 -50.19 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 119.6 124.2 3.21 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 116' ' ' SER . 1.3 p30 -42.48 -48.05 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.38 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 115' ' ' ASN . 57.5 m -34.96 101.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.61 154.6 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.3 m -106.56 -44.09 4.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 73.65 145.82 0.87 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.542 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -176.69 1.56 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.385 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.5 m -169.4 173.57 6.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.7 t -155.16 149.98 26.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.466 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.2 p -55.78 -33.49 64.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 110.88 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -93.82 82.46 4.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.12 -126.47 8.31 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.431 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 p -109.18 140.15 43.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 p -67.57 80.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.22 162.72 12.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.449 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 53.9 Cg_endo -69.78 121.16 7.85 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -41.2 148.02 0.31 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.5 147.22 87.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.621 0.724 . . . . 0.0 111.081 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 153.72 68.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.2 t -128.33 160.03 33.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 13' ' ' THR . 7.5 m 71.44 44.38 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.149 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.1 t -75.99 108.43 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -107.27 142.67 36.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.678 HG12 HD12 ' A' ' 25' ' ' LEU . 79.1 mt -125.93 143.33 39.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.5 m -150.26 119.11 6.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -66.42 131.13 45.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -113.59 169.09 9.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.5 m -62.68 -29.87 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.18 -28.59 29.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.24 -113.53 0.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.59 HD11 HD11 ' A' ' 78' ' ' LEU . 54.9 mt -122.15 139.84 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 111.113 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -112.73 96.98 6.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.678 HD12 HG12 ' A' ' 16' ' ' ILE . 1.7 tp -89.33 151.03 22.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.7 t -154.28 162.65 41.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 43.5 p90 -167.94 163.27 13.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -106.22 147.94 35.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.648 0.737 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 153.09 69.38 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.736 2.29 . . . . 0.0 112.326 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 98.49 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.709 2.272 . . . . 0.0 112.365 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 32' ' ' SER . 10.3 t -43.02 -43.77 4.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.469 ' N ' HG23 ' A' ' 31' ' ' THR . 59.1 p -50.77 138.16 23.87 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.705 0.764 . . . . 0.0 110.842 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 87.4 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t -97.96 41.71 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.34 -141.01 45.51 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -100.74 112.83 25.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 38' ' ' LEU . 50.2 mm -70.83 91.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 37' ' ' ILE . 76.2 mt -34.12 -56.27 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -169.52 176.47 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -111.83 167.96 9.95 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -158.05 145.76 18.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.58 131.23 52.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -115.45 146.36 41.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.764 HD13 ' CE1' ' A' ' 93' ' ' PHE . 37.0 tp -122.81 110.23 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.854 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -48.77 124.04 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.036 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.59 HG23 ' O ' ' A' ' 44' ' ' LEU . 46.7 pt -123.84 139.54 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.491 ' N ' ' HB2' ' A' ' 82' ' ' HIS . 12.2 ptm180 -72.15 166.35 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.479 ' O ' HG23 ' A' ' 48' ' ' THR . 10.1 t -174.42 120.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.65 102.96 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -160.91 130.14 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -40.47 128.89 2.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -79.33 95.45 5.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -59.64 -54.52 45.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -146.14 143.69 19.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.652 0.739 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 175.85 7.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.242 . . . . 0.0 112.338 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.2 t 60.99 40.73 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -149.69 148.63 29.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.4 mt -148.19 171.92 15.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.3 t -119.97 98.82 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.854 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 19.8 m-85 -94.12 157.61 16.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -142.59 144.21 32.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -65.25 121.52 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 64' ' ' TYR . 32.6 pt -106.41 -35.48 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.469 ' N ' HG13 ' A' ' 63' ' ' ILE . 0.9 OUTLIER -125.15 147.5 49.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.5 p -129.02 123.42 32.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.16 176.42 40.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.426 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -106.25 15.32 26.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.919 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -79.27 160.73 26.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.3 p -103.39 12.99 34.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.8 m -161.87 123.75 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 23.5 p -124.38 172.26 9.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.6 m -122.91 127.32 48.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.193 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 91.5 t -102.1 136.38 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.5 p -95.0 166.16 12.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -63.48 -52.02 63.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.78 -42.28 0.49 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -76.48 -45.08 32.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.59 HD11 HD11 ' A' ' 23' ' ' ILE . 13.9 mt -43.42 -44.09 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.76 -43.48 48.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -72.61 -26.42 61.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.521 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -59.35 144.82 45.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.491 ' HB2' ' N ' ' A' ' 47' ' ' ARG . 10.9 t60 -84.9 145.08 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.1 mm -113.47 100.08 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -74.64 98.27 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.55 ' O ' ' N ' ' A' ' 87' ' ' SER . 32.6 m-85 -83.19 18.98 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 66.0 m -56.24 77.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.55 ' N ' ' O ' ' A' ' 85' ' ' TYR . 16.4 m 53.21 25.0 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.961 ' HG2' HD21 ' A' ' 112' ' ' LEU . 22.2 ttt180 -178.31 105.01 0.21 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.613 0.721 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.8 Cg_endo -69.74 96.03 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.638 2.225 . . . . 0.0 112.347 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.598 ' HB2' HD23 ' A' ' 112' ' ' LEU . . . -141.13 168.42 19.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.127 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 71.0 mt -103.84 132.47 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.639 HG12 ' HE2' ' A' ' 60' ' ' PHE . 66.7 t -88.1 139.32 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.764 ' CE1' HD13 ' A' ' 44' ' ' LEU . 26.7 m-85 -136.93 166.72 22.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.524 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 45.4 mtt-85 -158.09 126.53 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.642 HD11 HD21 ' A' ' 25' ' ' LEU . 17.7 mt -125.98 137.05 58.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 t -145.79 164.59 31.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.449 ' O ' ' CG ' ' A' ' 8' ' ' PRO . . . -123.79 166.17 16.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -109.99 141.55 42.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -117.08 -71.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -134.88 -59.21 0.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.3 mmtt -80.91 -52.21 7.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -169.98 -129.77 1.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 97' ' ' ALA . 27.7 m-85 -113.54 156.61 23.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.912 0.387 . . . . 0.0 110.946 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.93 -112.62 2.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 131.61 21.54 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.254 . . . . 0.0 112.342 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.76 132.59 52.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.7 m -82.45 113.35 20.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -95.03 148.46 22.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.2 tt -159.6 148.97 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -119.31 105.04 10.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -87.37 108.39 18.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.961 HD21 ' HG2' ' A' ' 88' ' ' ARG . 14.3 mt -61.08 111.81 1.85 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -112.34 164.67 12.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -111.9 -90.0 1.91 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.549 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -122.21 132.75 54.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.2 t -98.22 145.38 26.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 118' ' ' SER . 0.1 OUTLIER -83.86 128.91 34.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.404 ' N ' ' HD3' ' A' ' 117' ' ' LYS . 58.0 m -118.43 162.79 17.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 135.36 84.81 0.19 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -26.78 27.37 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.0 p 48.24 42.36 17.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.0 m -83.06 113.1 20.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.925 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 p -128.1 90.59 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -164.41 121.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.6 -147.68 6.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.4 t -74.14 -55.85 5.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.844 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 m -63.74 148.71 48.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.41 -116.72 0.53 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -171.41 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.387 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.45 143.63 17.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.57 153.07 85.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 135.58 30.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -115.71 172.58 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.51 HG22 ' HD2' ' A' ' 15' ' ' ARG . 6.9 m 47.83 51.55 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.3 t -79.81 121.12 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.51 ' HD2' HG22 ' A' ' 13' ' ' THR . 0.6 OUTLIER -108.68 148.9 29.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.465 HD12 ' HB2' ' A' ' 111' ' ' TRP . 22.3 mt -134.55 125.89 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 t -137.59 117.31 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -65.52 134.5 53.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.956 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -105.0 161.78 13.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 20' ' ' VAL . 51.3 t -60.63 -9.99 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -108.07 -1.78 20.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 145.93 -120.3 1.3 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.707 HD12 HD11 ' A' ' 78' ' ' LEU . 96.6 mt -123.63 143.92 35.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.89 0.376 . . . . 0.0 111.109 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -124.57 105.58 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.552 HD21 HD11 ' A' ' 95' ' ' ILE . 2.6 tp -86.59 130.01 34.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.7 p -134.33 160.45 37.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.821 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 26.5 p90 -169.82 175.62 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -119.93 148.7 47.2 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.491 ' HD3' HG21 ' A' ' 69' ' ' THR . 53.9 Cg_endo -69.72 142.45 48.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.727 2.285 . . . . 0.0 112.357 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 147.93 64.38 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.498 HG23 ' N ' ' A' ' 32' ' ' SER . 9.8 t -134.2 -45.79 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.158 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.498 ' N ' HG23 ' A' ' 31' ' ' THR . 1.0 OUTLIER -51.9 -60.63 5.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.662 0.744 . . . . 0.0 110.849 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 32' ' ' SER . 53.6 Cg_endo -69.82 -50.38 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.246 . . . . 0.0 112.317 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t -163.83 145.73 9.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.43 -39.77 1.44 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.522 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -63.71 90.06 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.799 HD12 ' HB1' ' A' ' 97' ' ' ALA . 42.4 mm -113.6 101.26 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.9 mt -43.86 -56.51 3.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -152.84 178.74 9.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.598 ' CZ ' HG21 ' A' ' 37' ' ' ILE . 87.5 m-85 -129.04 166.68 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.6 p -163.68 147.88 10.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -116.2 162.34 17.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -143.68 159.85 41.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.098 HD21 ' HB2' ' A' ' 81' ' ' ALA . 12.7 tp -146.78 136.66 23.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.849 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -78.41 127.13 31.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.704 HD13 ' H ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -132.72 147.45 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.6 ptt85 -98.16 137.09 37.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.9 p -106.36 149.13 27.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -110.32 42.7 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -111.51 131.22 55.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.4 115.15 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -162.61 130.12 3.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -82.99 86.12 7.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -139.62 142.11 30.54 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.615 0.722 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 166.87 26.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.234 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.1 t -62.41 90.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' ' 59' ' ' VAL . 2.6 tp-100 -124.98 93.18 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.424 HD22 ' HB1' ' A' ' 45' ' ' ALA . 11.3 mt -41.87 116.62 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 57' ' ' GLN . 92.1 t -106.94 118.0 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.849 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 27.4 m-85 -102.34 135.78 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -114.74 149.44 36.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -71.15 112.75 7.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.2 pt -101.09 -12.41 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.47 ' CD2' ' HB2' ' A' ' 71' ' ' CYS . 18.8 t80 -149.48 132.29 16.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.5 t -128.49 102.63 6.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -172.08 166.63 39.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.801 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -83.44 -28.4 28.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.99 140.43 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.491 HG21 ' HD3' ' A' ' 29' ' ' PRO . 40.2 p -88.84 40.84 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 92.1 p -169.05 128.04 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 19.7 p -129.62 171.53 12.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.0 m -126.74 137.45 53.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.3 t -112.37 121.11 64.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.2 p -82.68 152.63 25.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -46.78 -54.42 9.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.06 -37.01 7.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -72.05 -47.13 53.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 110.933 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.707 HD11 HD12 ' A' ' 23' ' ' ILE . 19.0 mt -52.29 -43.59 64.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.89 -38.69 10.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -73.07 -26.35 61.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 1.098 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -65.68 143.07 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -94.64 146.59 24.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.9 mt -113.47 117.72 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -72.8 114.93 11.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -106.33 38.12 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.5 m -90.23 -58.32 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.0 t -121.26 -48.02 2.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.486 ' NE ' HD11 ' A' ' 112' ' ' LEU . 2.6 ttt85 -139.2 123.99 11.55 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 83.87 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.427 ' HB2' HD22 ' A' ' 112' ' ' LEU . . . -128.09 164.64 21.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.092 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 88.2 mt -89.85 131.7 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.0 t -90.62 106.19 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -101.12 160.46 14.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.44 ' HG3' ' CD2' ' A' ' 60' ' ' PHE . 24.5 mmt180 -140.06 125.53 19.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.552 HD11 HD21 ' A' ' 25' ' ' LEU . 14.5 mt -135.97 141.73 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.7 t -142.95 -178.09 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.799 ' HB1' HD12 ' A' ' 37' ' ' ILE . . . -132.32 138.67 47.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.071 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -84.36 142.42 30.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -112.17 -61.38 1.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -123.73 -64.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -124.01 -23.99 4.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.33 -169.79 12.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.458 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -114.97 161.34 18.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.949 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -86.15 -141.92 6.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 140.35 42.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.673 2.249 . . . . 0.0 112.306 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -99.66 125.17 45.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 99.0 m -79.33 137.37 37.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.185 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -109.69 118.61 37.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.1 tt -118.22 154.35 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -122.28 98.91 6.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.465 ' HB2' HD12 ' A' ' 16' ' ' ILE . 34.1 t90 -91.64 117.03 29.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.486 HD11 ' NE ' ' A' ' 88' ' ' ARG . 0.5 OUTLIER -53.75 101.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -64.28 -41.91 96.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 53.35 -138.05 36.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -128.0 154.52 45.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 86.3 p -115.62 110.89 19.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -70.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 t -93.95 140.41 29.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -135.03 -113.45 1.33 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.431 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 146.23 59.9 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.8 p -114.81 118.2 32.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.9 p -50.72 158.37 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 1' ' ' GLY . 18.3 t -36.13 105.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.874 0.369 . . . . 0.0 110.852 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -151.92 159.7 43.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.61 143.58 2.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -94.62 -46.74 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.822 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 m -112.39 99.63 8.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.76 -154.6 7.35 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.435 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 53.4 Cg_endo -69.73 179.72 3.48 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.11 162.22 12.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.514 ' HB1' ' OG1' ' A' ' 107' ' ' THR . . . -88.15 145.57 36.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.556 0.693 . . . . 0.0 111.119 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.459 ' HG3' HG22 ' A' ' 95' ' ' ILE . 53.7 Cg_endo -69.81 144.46 53.82 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.72 2.28 . . . . 0.0 112.299 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.4 p -132.18 166.85 20.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 13' ' ' THR . 17.9 m 65.62 40.1 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 26' ' ' SER . 99.0 t -70.93 134.91 29.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -130.71 141.76 50.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.7 mt -128.73 120.91 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 t -118.33 155.07 31.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.3 127.2 32.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -105.04 147.98 27.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.6 t -54.59 -39.16 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.454 ' OD2' HG22 ' A' ' 74' ' ' THR . 18.7 t0 -79.77 -28.04 40.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.43 -101.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.602 HD12 HD21 ' A' ' 78' ' ' LEU . 58.8 mt -126.4 140.07 49.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 111.089 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -110.97 100.61 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tp -85.04 141.03 30.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.476 ' O ' HG13 ' A' ' 14' ' ' VAL . 1.3 t -147.49 162.49 38.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 49.4 p90 -165.8 177.59 7.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -125.37 154.85 72.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.674 0.749 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 148.34 64.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 148.03 64.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.385 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 31' ' ' THR . 2.0 t -96.02 91.27 5.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.09 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 m -157.1 158.12 30.92 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.662 0.744 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 34' ' ' SER . 53.9 Cg_endo -69.74 4.41 2.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.393 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.479 ' C ' ' O ' ' A' ' 33' ' ' PRO . 23.8 p -31.9 146.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.85 -110.74 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -102.95 120.55 40.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.4 mm -87.97 104.97 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 39' ' ' GLU . 11.6 mt -76.27 175.77 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' LEU . 8.0 mp0 -37.19 153.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -95.49 169.02 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 t -135.79 123.43 22.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.816 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.2 120.12 41.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -109.47 163.69 13.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.898 HD21 ' HB2' ' A' ' 81' ' ' ALA . 10.4 tp -145.21 119.37 9.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 1.056 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . . . -54.2 128.9 32.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.471 HG22 ' HA ' ' A' ' 81' ' ' ALA . 2.9 pp -140.2 176.9 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -115.26 136.03 53.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 48' ' ' THR . 10.7 t -117.39 122.03 42.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.94 98.32 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.066 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -131.79 -39.41 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.6 mtt 62.99 44.05 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -125.0 157.1 36.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -55.93 90.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -110.68 154.56 43.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -178.66 2.43 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.395 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.4 t -98.53 43.19 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 58' ' ' LEU . 2.4 mp0 -124.46 92.26 3.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 57' ' ' GLN . 2.7 mt -34.17 125.16 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.1 t -84.16 113.91 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 1.056 ' CE2' ' HB2' ' A' ' 45' ' ' ALA . 5.0 m-85 -95.4 155.73 16.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.79 127.59 37.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 62' ' ' ARG . 7.4 tmm_? -49.92 126.53 14.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 64' ' ' TYR . 25.7 pt -108.61 -33.15 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.472 ' N ' HG13 ' A' ' 63' ' ' ILE . 9.8 t80 -137.22 136.07 37.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 16.2 p -127.9 88.2 2.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.426 ' N ' ' CE1' ' A' ' 64' ' ' TYR . . . -150.22 167.41 30.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.487 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.573 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.3 pt? -84.8 -34.73 22.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.46 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -45.32 148.17 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.842 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.8 p -92.05 39.21 1.01 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -158.58 125.01 4.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 72' ' ' THR . 0.5 OUTLIER -121.38 161.0 22.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.517 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 50.7 m -126.83 144.11 51.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -128.02 140.38 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.454 HG22 ' OD2' ' A' ' 21' ' ' ASP . 61.8 p -111.11 169.5 8.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.94 -51.12 71.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.87 -40.52 1.08 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -85.49 -48.63 8.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.602 HD21 HD12 ' A' ' 23' ' ' ILE . 19.8 mt -41.11 -52.72 3.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.36 -39.66 7.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -71.06 -27.87 63.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.898 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -61.22 133.78 56.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -72.63 104.75 4.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.4 mm -76.8 104.29 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.57 94.85 2.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.463 ' O ' ' N ' ' A' ' 87' ' ' SER . 14.2 m-85 -81.36 10.36 5.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 60.8 p -52.07 86.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' TYR . 17.0 m 44.6 24.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.674 ' CG ' HD21 ' A' ' 112' ' ' LEU . 20.1 ttm180 -178.37 105.02 0.21 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.725 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 90.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.73 172.09 13.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 84.8 mt -114.99 142.16 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 76.7 t -102.3 121.38 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.489 ' CE1' HD13 ' A' ' 44' ' ' LEU . 56.4 m-85 -112.01 166.74 10.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.486 ' HG3' ' CD2' ' A' ' 60' ' ' PHE . 15.7 mmt180 -141.34 136.05 31.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.459 HG22 ' HG3' ' A' ' 11' ' ' PRO . 35.1 mt -142.92 134.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.4 m -150.02 162.04 41.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.32 155.65 18.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.091 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.525 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 23.1 tttp -118.12 127.06 53.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.435 ' ND2' ' HB3' ' A' ' 8' ' ' PRO . 11.9 m-20 -121.12 169.4 10.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 99' ' ' ASN . 5.4 mm-40 -36.79 -40.65 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -72.2 -62.4 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 171.71 -117.19 0.66 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.525 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 73.4 m-85 -126.12 135.63 51.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.385 . . . . 0.0 110.926 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -104.32 -121.42 4.92 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 136.15 32.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -101.4 145.16 29.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.514 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 62.8 m -109.91 133.97 52.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.162 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -116.51 155.5 28.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.3 tt -154.69 149.44 12.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 43.5 mtm-85 -112.39 131.38 55.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -126.09 100.89 6.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.674 HD21 ' CG ' ' A' ' 88' ' ' ARG . 7.1 mt -52.04 128.32 24.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -65.32 149.15 50.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -134.11 141.77 13.15 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.432 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -62.15 121.36 12.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.359 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.8 t -160.14 141.29 12.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -168.87 134.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.5 t -173.94 129.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -110.21 120.02 5.52 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 163.97 36.26 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 45.5 t -104.44 123.23 47.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.1 p -148.17 158.42 44.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.43 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 m -54.47 157.28 2.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m -93.52 105.09 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.01 128.83 6.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -43.77 -61.93 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -136.13 132.74 36.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.31 154.36 16.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -18.81 36.91 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.733 2.288 . . . . 0.0 112.325 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.93 164.72 12.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.47 154.52 37.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.5 ' HG3' HG22 ' A' ' 95' ' ' ILE . 53.7 Cg_endo -69.8 121.11 7.8 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.258 . . . . 0.0 112.313 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 t -106.62 164.38 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 13' ' ' THR . 7.7 m 66.17 38.45 4.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.401 HG22 ' CB ' ' A' ' 27' ' ' TRP . 93.3 t -79.0 110.27 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -119.43 133.14 55.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.7 mt -112.78 123.23 68.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.5 m -117.07 124.78 50.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -69.63 119.98 14.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -101.24 149.31 24.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.1 p -53.14 -38.91 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -75.48 -29.91 59.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 173.85 -127.36 1.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.638 HD12 HD21 ' A' ' 78' ' ' LEU . 57.2 mt -116.32 138.41 46.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 111.186 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -115.64 100.22 7.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.537 HD21 HD11 ' A' ' 95' ' ' ILE . 1.2 tp -83.86 141.9 30.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 m -151.62 157.51 42.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.512 ' CE2' ' HA ' ' A' ' 69' ' ' THR . 49.1 p90 -164.32 178.22 7.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -129.69 155.86 79.7 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.5 69.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.707 2.272 . . . . 0.0 112.376 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 31' ' ' THR . 53.3 Cg_endo -69.76 -162.72 0.09 OUTLIER 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.619 HG22 ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -31.29 138.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.472 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -37.92 -61.47 0.79 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.709 0.766 . . . . 0.0 110.848 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.619 ' HD2' HG22 ' A' ' 31' ' ' THR . 53.7 Cg_endo -69.75 -51.19 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.264 . . . . 0.0 112.37 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 33' ' ' PRO . 3.0 m 32.97 45.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.28 -118.7 13.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -125.95 119.34 27.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.505 HG21 ' CE1' ' A' ' 40' ' ' TYR . 25.3 mm -96.33 112.08 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.8 mt -80.68 -55.95 4.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -168.16 166.39 12.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.505 ' CE1' HG21 ' A' ' 37' ' ' ILE . 82.7 m-85 -114.91 167.67 10.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.9 p -162.77 144.74 10.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.51 140.11 39.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -121.2 162.89 19.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 81' ' ' ALA . 19.0 tp -147.4 119.58 8.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.637 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . . . -60.6 120.45 10.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.804 ' O ' HD12 ' A' ' 46' ' ' ILE . 2.4 pp -138.91 140.89 37.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.419 HH22 ' CB ' ' A' ' 56' ' ' SER . 4.6 ptp180 -175.82 162.77 2.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 t -68.56 140.54 55.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.01 108.85 21.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -104.17 -59.02 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.8 ptp -128.68 176.72 7.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -39.56 -44.22 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -168.96 137.04 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -110.1 142.3 25.65 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 89.42 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.419 ' CB ' HH22 ' A' ' 47' ' ' ARG . 5.5 m -165.85 150.59 8.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' LEU . 6.8 mp0 -71.34 100.31 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 57' ' ' GLN . 10.5 mt -34.75 111.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.6 m -78.74 144.73 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.165 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.637 ' CZ ' ' HB2' ' A' ' 45' ' ' ALA . 4.0 m-85 -123.42 145.25 48.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.473 ' CE ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -123.35 140.34 53.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -62.78 126.94 29.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 64' ' ' TYR . 40.8 pt -104.72 -35.99 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.525 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -143.92 145.56 32.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 27.2 p -129.04 123.92 33.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.59 164.19 20.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.587 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -95.79 18.47 13.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 70' ' ' SER . 35.2 tttt -74.99 5.48 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.512 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 63.6 p 38.27 26.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 68' ' ' LYS . 1.0 OUTLIER -166.84 153.82 8.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.875 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 19.6 p -158.45 172.07 19.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.9 m -127.25 124.23 38.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.2 t -110.18 123.42 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.9 p -98.65 170.94 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -46.86 -51.35 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.59 -66.37 0.39 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.468 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -61.4 -43.32 99.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.921 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.638 HD21 HD12 ' A' ' 23' ' ' ILE . 20.1 mt -49.27 -44.3 43.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -48.02 -38.88 18.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.042 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -72.64 -25.8 61.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.734 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -58.18 142.3 47.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -106.29 109.1 20.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.3 133.81 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.07 99.61 6.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -93.14 42.96 1.11 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.4 p -98.86 -48.67 4.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.2 m -129.75 -48.06 1.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.594 ' CD ' HD21 ' A' ' 112' ' ' LEU . 13.6 ttm180 -138.84 121.64 10.68 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.59 0.709 . . . . 0.0 110.841 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 93.54 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.882 ' HB2' HD23 ' A' ' 112' ' ' LEU . . . -139.89 157.6 45.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.1 mt -91.79 126.34 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.1 t -94.59 121.75 45.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -108.86 171.42 7.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.606 ' HD2' ' HB1' ' A' ' 106' ' ' ALA . 12.8 mmt85 -149.41 125.84 10.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.537 HD11 HD21 ' A' ' 25' ' ' LEU . 25.6 mt -134.29 138.2 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.71 170.99 17.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.63 141.31 51.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -84.22 143.87 29.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -110.67 -70.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -126.26 -63.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -92.01 -45.69 8.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -153.96 -150.17 5.41 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -100.12 168.2 9.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.906 0.384 . . . . 0.0 110.938 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.09 -106.25 2.51 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 126.21 13.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.357 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.606 ' HB1' ' HD2' ' A' ' 94' ' ' ARG . . . -104.03 131.42 51.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 92.1 m -87.03 134.83 33.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -110.62 110.84 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 13.9 tt -115.43 136.35 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -105.35 107.47 18.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -100.64 105.39 16.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.882 HD23 ' HB2' ' A' ' 90' ' ' ALA . 80.5 mt -58.7 105.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.23 177.68 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -120.29 -117.04 2.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -101.39 116.85 33.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.853 0.359 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 t -102.98 100.58 10.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -101.15 126.22 47.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 t -70.5 -44.83 66.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 82.14 -156.31 35.68 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 121' ' ' SER . 53.5 Cg_endo -69.82 -31.13 20.87 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.315 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 120' ' ' PRO . 1.7 t -36.52 137.18 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.8 p -76.29 105.85 7.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.52 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -108.41 -56.82 2.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -45.19 128.82 7.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.48 80.45 0.12 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -58.01 -50.25 74.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.883 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -76.03 135.46 39.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.36 -164.37 31.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.702 ' HB2' ' HB3' ' A' ' 97' ' ' ALA . 53.7 Cg_endo -69.81 173.33 11.18 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.13 162.08 21.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.458 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.58 141.63 93.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.559 0.695 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 158.29 57.42 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.6 p -133.71 166.46 22.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 m 60.48 52.75 4.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.699 HG22 ' HB2' ' A' ' 27' ' ' TRP . 83.0 t -95.29 112.78 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -122.41 141.9 51.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 53.4 mt -118.24 134.2 62.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.176 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 m -143.33 135.48 26.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -69.47 126.45 29.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -116.86 168.15 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.8 m -52.48 -38.5 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.31 26.79 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.65 -104.33 2.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.69 HD12 HD21 ' A' ' 78' ' ' LEU . 94.2 mt -118.94 145.78 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 111.127 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -120.36 97.34 5.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 tp -86.21 118.48 25.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.8 p -133.34 135.79 44.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.699 ' HB2' HG22 ' A' ' 14' ' ' VAL . 45.3 p90 -144.07 176.12 9.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -122.65 153.03 62.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.588 0.708 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 164.32 34.98 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.373 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.94 40.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.4 t -92.34 -13.82 29.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.4 p -56.87 155.0 16.34 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.656 0.741 . . . . 0.0 110.899 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' GLY . 53.7 Cg_endo -69.75 -1.99 9.4 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.698 2.266 . . . . 0.0 112.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.404 ' O ' HD11 ' A' ' 37' ' ' ILE . 23.8 m -58.02 82.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -81.59 -147.19 5.75 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.501 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 55.47 25.55 7.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.404 HD11 ' O ' ' A' ' 34' ' ' SER . 18.6 mm -55.55 94.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.438 ' C ' ' CD ' ' A' ' 39' ' ' GLU . 26.0 mt -66.14 -67.58 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.438 ' CD ' ' C ' ' A' ' 38' ' ' LEU . 43.3 mp0 -156.97 163.62 38.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -109.8 168.65 9.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.8 t -148.78 125.44 11.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.43 134.64 48.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.061 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 4.2 m-85 -123.78 154.89 38.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.816 HD21 ' HB2' ' A' ' 81' ' ' ALA . 8.5 tp -128.98 128.22 43.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.66 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . . . -58.34 131.85 51.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.48 HG21 ' SD ' ' A' ' 61' ' ' MET . 42.1 pt -127.18 172.73 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -58.84 170.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.8 t -163.08 134.65 5.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.91 173.16 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 39.5 53.6 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -105.0 108.52 20.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -90.29 156.05 18.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.11 -57.25 5.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.539 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -42.03 151.29 0.34 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.709 . . . . 0.0 110.911 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 128.65 16.31 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.4 t -142.44 179.89 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -58.86 144.96 42.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 mt -129.59 105.89 8.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.3 m -76.51 147.83 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.66 ' CZ ' ' HB2' ' A' ' 45' ' ' ALA . 3.1 m-85 -114.71 168.78 9.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.48 ' SD ' HG21 ' A' ' 46' ' ' ILE . 17.4 ptt? -124.66 138.46 54.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -65.14 118.79 9.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.514 HD12 HG22 ' A' ' 73' ' ' VAL . 30.1 pt -110.0 -25.47 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -150.92 135.1 16.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.3 t -128.4 89.46 2.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -153.51 164.11 30.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.585 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -94.74 18.68 11.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.933 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 70' ' ' SER . 23.0 ttpp -87.88 4.8 43.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.546 ' HA ' ' CZ2' ' A' ' 27' ' ' TRP . 41.9 p 39.74 24.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' LYS . 67.9 m -159.99 138.4 10.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.2 p -156.1 163.48 39.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 23' ' ' ILE . 72.3 m -110.78 135.07 51.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.514 HG22 HD12 ' A' ' 63' ' ' ILE . 58.7 t -108.31 110.14 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.8 p -78.44 177.14 8.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -62.34 -54.13 44.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.32 -41.1 0.3 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.509 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -83.84 -48.16 10.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.69 HD21 HD12 ' A' ' 23' ' ' ILE . 17.5 mt -46.2 -42.97 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.84 -34.77 20.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -77.21 -27.18 53.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.816 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -55.98 120.74 7.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -86.52 121.11 28.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.2 mt -81.64 138.58 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.64 106.78 17.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 89' ' ' PRO . 17.7 m-85 -99.28 41.78 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.2 p -102.16 -50.86 3.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 68.4 m -125.59 -44.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.633 ' CG ' HD21 ' A' ' 112' ' ' LEU . 20.1 ttm180 -142.1 120.71 7.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.927 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.423 ' HB3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.73 80.99 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.713 2.275 . . . . 0.0 112.367 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.447 ' HB1' ' C ' ' A' ' 111' ' ' TRP . . . -137.09 168.56 19.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.447 HG22 ' CE2' ' A' ' 93' ' ' PHE . 13.3 mt -86.84 131.42 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.5 t -95.35 138.61 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.508 ' CE1' HD13 ' A' ' 44' ' ' LEU . 91.0 m-85 -129.11 176.52 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.428 ' C ' HG13 ' A' ' 95' ' ' ILE . 41.0 mtt-85 -162.74 141.0 8.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.428 HG13 ' C ' ' A' ' 94' ' ' ARG . 26.7 mt -142.02 143.11 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.7 t -150.12 172.66 14.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.702 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -103.6 164.17 11.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.5 ' HG3' ' CZ ' ' A' ' 103' ' ' TYR . 1.4 ttpm? -132.27 112.8 12.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 100' ' ' GLU . 65.4 t30 -131.62 176.38 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 99' ' ' ASN . 51.1 mt-10 -33.83 -46.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.66 -56.64 15.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.01 -87.93 0.15 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.5 ' CZ ' ' HG3' ' A' ' 98' ' ' LYS . 10.3 m-85 -150.69 122.86 8.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.917 0.389 . . . . 0.0 110.933 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -93.43 -149.02 24.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.509 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 157.64 59.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -126.16 132.68 51.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.4 m -82.22 136.46 35.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -101.41 155.47 18.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 14.5 tt -157.1 133.87 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -100.07 129.56 46.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.447 ' C ' ' HB1' ' A' ' 90' ' ' ALA . 19.1 t90 -121.41 109.78 15.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.633 HD21 ' CG ' ' A' ' 88' ' ' ARG . 27.0 mt -65.76 130.12 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -61.95 124.22 20.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 118.68 134.44 4.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -172.14 148.2 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.951 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 88.5 p -52.71 172.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.6 mttt -78.79 177.52 8.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.1 t -121.91 148.1 45.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.27 109.77 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.03 20.34 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.3 m -114.5 42.65 2.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.7 t -137.37 129.46 29.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.826 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.452 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -141.35 170.65 15.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.894 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 p -88.41 93.41 9.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.17 165.95 39.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -131.58 86.11 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -86.1 42.09 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.38 174.04 44.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HB3' ' ND2' ' A' ' 99' ' ' ASN . 53.7 Cg_endo -69.8 138.75 38.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.22 159.74 4.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.429 ' HB1' ' OG1' ' A' ' 107' ' ' THR . . . -76.27 137.43 68.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.529 0.681 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 145.09 56.45 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -137.5 171.9 13.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 13' ' ' THR . 15.9 m 66.44 40.87 3.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.637 HG13 ' O ' ' A' ' 26' ' ' SER . 94.5 t -81.24 114.39 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -102.64 146.34 28.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.0 mt -132.75 146.19 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.4 m -153.25 135.3 14.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -64.92 132.54 49.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -108.98 169.26 8.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.8 t -73.47 -39.1 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -100.86 25.98 7.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.15 -139.6 10.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.693 ' CD1' HD11 ' A' ' 78' ' ' LEU . 43.6 mt -121.33 140.59 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 111.172 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -101.06 110.74 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.79 119.82 39.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.637 ' O ' HG13 ' A' ' 14' ' ' VAL . 59.9 p -121.16 155.34 34.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.5 p90 -159.63 166.2 31.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -122.66 153.05 62.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 166.03 28.93 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 144.87 55.3 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.689 2.259 . . . . 0.0 112.313 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 32' ' ' SER . 9.4 t -74.04 -41.85 61.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.424 ' N ' HG23 ' A' ' 31' ' ' THR . 20.8 p -45.06 153.11 0.53 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.861 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 99.34 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.642 2.228 . . . . 0.0 112.359 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.504 ' HB2' HD11 ' A' ' 37' ' ' ILE . 68.5 p -108.79 -57.27 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.68 -102.01 2.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -94.03 115.53 27.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.752 0.31 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.504 HD11 ' HB2' ' A' ' 34' ' ' SER . 45.4 mm -113.67 108.05 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' ' 100' ' ' GLU . 35.8 mt -50.65 170.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -43.29 155.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -90.8 169.07 11.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.1 p -141.9 134.61 28.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.41 131.4 53.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -122.01 162.18 21.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.927 HD21 ' HB2' ' A' ' 81' ' ' ALA . 18.2 tp -147.83 134.09 19.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.9 142.39 58.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.795 HG21 ' HG2' ' A' ' 61' ' ' MET . 0.0 OUTLIER -134.16 172.59 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 48' ' ' THR . 5.7 ttt180 37.28 42.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 47' ' ' ARG . 13.2 t 32.63 41.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 48' ' ' THR . . . 32.88 45.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -60.78 108.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.69 179.35 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' ASP . 88.5 mt-30 -42.17 165.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 52' ' ' GLN . 3.2 p-10 -33.96 -60.54 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -60.32 152.9 61.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 149.03 66.38 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.9 t -148.24 158.74 44.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -50.03 175.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.432 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . 0.2 OUTLIER -115.5 127.6 55.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.3 t -84.64 108.98 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.432 ' CE1' ' HB2' ' A' ' 58' ' ' LEU . 8.4 m-85 -89.54 116.82 27.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.795 ' HG2' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -88.27 139.77 30.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -53.06 123.21 11.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.499 HG13 ' N ' ' A' ' 64' ' ' TYR . 42.9 pt -106.28 -35.94 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.499 ' N ' HG13 ' A' ' 63' ' ' ILE . 62.6 t80 -128.57 138.48 52.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.1 p -127.41 117.23 21.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.13 -158.61 26.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.713 ' H ' HD23 ' A' ' 67' ' ' LEU . 2.5 pt? -121.12 -41.24 2.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.894 0.378 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.446 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -38.33 143.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.2 p -80.63 39.72 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -176.13 157.84 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.488 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 25.8 p -158.28 171.92 19.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.9 m -122.92 136.53 54.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.8 t -108.79 136.28 45.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.8 p -93.89 144.5 25.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -44.76 -53.41 7.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.097 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -35.04 -44.96 0.55 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.503 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -75.11 -45.16 43.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.693 HD11 ' CD1' ' A' ' 23' ' ' ILE . 12.9 mt -43.47 -36.64 2.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.74 -41.31 73.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -75.51 -25.62 57.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.927 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -54.71 129.45 36.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.072 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -70.85 137.28 49.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.2 mm -104.77 99.73 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -74.16 98.68 3.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' SER . 28.9 m-85 -82.43 19.54 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.7 p -59.98 75.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.148 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' TYR . 74.1 m 56.42 25.02 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.407 ' CG ' HD21 ' A' ' 112' ' ' LEU . 55.4 ttm-85 -179.54 104.99 0.18 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.496 ' O ' HD23 ' A' ' 112' ' ' LEU . 53.6 Cg_endo -69.81 93.56 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.28 . . . . 0.0 112.34 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -142.33 170.86 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.8 mt -100.91 136.76 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.71 142.34 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.611 ' CE1' HD13 ' A' ' 44' ' ' LEU . 60.2 m-85 -137.17 167.94 20.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.436 ' C ' HG13 ' A' ' 95' ' ' ILE . 16.1 mtm180 -152.28 139.62 19.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.436 HG13 ' C ' ' A' ' 94' ' ' ARG . 47.8 mt -145.06 139.95 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.4 t -150.07 165.95 31.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -115.43 165.27 13.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 103' ' ' TYR . 19.8 tttm -126.56 118.55 25.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 8' ' ' PRO . 45.1 m-20 -95.72 17.45 14.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.655 ' HB2' HD11 ' A' ' 38' ' ' LEU . 10.2 tt0 70.71 28.21 3.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -134.38 -43.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 103' ' ' TYR . . . 163.73 106.88 0.2 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 98' ' ' LYS . 14.1 m-85 -33.63 126.76 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.913 0.387 . . . . 0.0 110.904 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -88.35 -139.43 6.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 145.47 57.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.721 2.281 . . . . 0.0 112.286 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.44 122.66 47.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.429 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 25.2 m -75.01 144.55 43.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -114.08 160.48 18.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.407 ' C ' ' HD3' ' A' ' 110' ' ' ARG . 15.6 tt -159.55 148.73 6.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.448 ' HD3' ' N ' ' A' ' 110' ' ' ARG . 0.9 OUTLIER -117.78 111.38 19.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 30.5 t90 -102.28 105.41 16.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 89' ' ' PRO . 19.9 mt -51.09 166.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -73.53 -52.73 12.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 67.03 -142.27 41.2 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -114.65 177.47 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.3 t -166.01 159.25 15.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -162.58 154.77 18.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.1 m -124.57 156.18 37.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -146.65 126.23 2.41 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 160.98 47.7 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 25.1 m -164.16 162.65 22.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.1 p -118.56 148.21 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.45 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -142.68 139.39 31.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.874 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t 45.31 42.17 7.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.15 -143.89 16.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 p -149.75 162.96 39.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.379 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 p -145.49 148.55 33.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.75 -170.26 26.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.54 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.465 ' HB2' ' HB3' ' A' ' 97' ' ' ALA . 54.1 Cg_endo -69.77 129.51 17.72 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.09 155.81 1.66 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' HB1' ' OG1' ' A' ' 107' ' ' THR . . . -83.91 147.26 50.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.719 . . . . 0.0 111.071 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.5 ' HG3' HG22 ' A' ' 95' ' ' ILE . 53.4 Cg_endo -69.79 133.04 24.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 m -118.18 162.16 18.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 13' ' ' THR . 17.7 m 70.27 40.91 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.503 HG22 ' HB2' ' A' ' 27' ' ' TRP . 63.0 t -74.93 109.68 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -104.96 146.42 29.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.6 mt -129.15 147.45 33.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -146.12 118.28 8.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -74.7 124.18 26.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -111.51 172.02 7.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 21' ' ' ASP . 35.6 m -64.27 -43.88 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.484 ' N ' HG23 ' A' ' 20' ' ' VAL . 1.6 m-20 -72.53 -29.79 63.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.43 -168.38 40.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 69.0 mt -81.11 142.38 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.852 0.358 . . . . 0.0 111.158 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -112.04 98.86 7.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 tp -84.44 119.83 25.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -127.07 156.84 41.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.503 ' HB2' HG22 ' A' ' 14' ' ' VAL . 17.0 p90 -168.66 175.08 6.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -111.73 153.84 44.21 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.682 0.753 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.33 21.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 2.244 . . . . 0.0 112.356 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.72 9.4 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.706 2.27 . . . . 0.0 112.329 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.0 t -82.45 39.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 34' ' ' SER . 58.8 m -107.72 155.16 40.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.662 0.744 . . . . 0.0 110.863 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 11.28 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.316 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 32' ' ' SER . 4.7 t -64.67 95.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.3 -79.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -53.94 121.66 8.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.2 mm -134.64 97.88 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 mt -73.8 169.93 16.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.438 ' CB ' ' HB3' ' A' ' 67' ' ' LEU . 2.4 pp20? -48.24 177.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -115.74 169.36 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.2 p -144.15 134.96 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.452 ' HB3' ' HB3' ' A' ' 64' ' ' TYR . . . -114.76 130.74 56.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -115.61 153.67 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.852 HD21 ' HB2' ' A' ' 81' ' ' ALA . 14.5 tp -135.55 114.05 11.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.579 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . . . -51.37 124.08 11.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.696 HG22 ' O ' ' A' ' 80' ' ' ASN . 42.3 pt -123.0 139.57 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -86.78 -42.31 13.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.9 p -39.85 -44.25 1.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.24 40.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -114.78 105.22 12.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.4 tpt -127.79 -51.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -132.56 81.15 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -154.4 142.47 20.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -54.95 158.88 4.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.631 0.729 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -38.32 8.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.266 . . . . 0.0 112.351 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.9 m -73.37 -45.01 57.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -58.21 147.59 29.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.463 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 10.2 mt -132.74 106.51 7.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.0 t -81.47 113.0 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.579 ' CD2' ' HB2' ' A' ' 45' ' ' ALA . 9.1 m-85 -98.81 153.93 18.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.661 ' SD ' HD13 ' A' ' 46' ' ' ILE . 11.1 ptt? -128.53 144.55 51.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 62' ' ' ARG . 7.1 tmm_? -65.54 121.74 15.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.439 HG13 ' N ' ' A' ' 64' ' ' TYR . 9.7 pt -112.73 -33.61 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.452 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 11.1 t80 -114.45 133.28 55.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.9 p -119.59 123.94 45.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 167.63 -168.62 40.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.5 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.59 ' N ' HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -133.95 13.93 3.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.917 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -84.26 167.95 16.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.1 p -89.99 -20.41 23.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.5 p -126.28 129.93 49.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.4 p -130.75 169.76 15.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.7 m -124.33 135.45 53.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.4 t -109.39 139.28 32.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.8 p -95.14 162.8 13.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.096 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -60.38 -46.34 90.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.86 -52.16 1.5 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.448 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.41 ' NE2' ' HB ' ' A' ' 63' ' ' ILE . 45.8 mt-30 -70.56 -42.5 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -51.15 -37.29 45.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.36 -36.25 68.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.696 ' O ' HG22 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -97.0 20.56 11.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.852 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -97.99 118.62 34.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.045 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -72.87 116.2 13.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.0 mt -94.49 121.22 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.943 ' OD1' HG23 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -72.52 98.68 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' SER . 9.8 m-85 -83.02 10.37 8.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 88' ' ' ARG . 60.0 p -52.62 89.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 85' ' ' TYR . 5.9 t 41.74 24.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 86' ' ' THR . 20.3 ttm180 -178.08 105.05 0.21 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.822 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 91.22 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.705 2.27 . . . . 0.0 112.322 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.97 153.95 51.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.404 ' CG2' ' CE2' ' A' ' 93' ' ' PHE . 58.2 mt -96.59 134.2 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.943 HG23 ' OD1' ' A' ' 84' ' ' ASP . 93.6 t -96.72 138.15 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.481 ' HB2' ' CG2' ' A' ' 109' ' ' ILE . 61.1 m-85 -134.35 148.42 50.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.1 mmt85 -121.52 132.92 54.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.5 HG22 ' HG3' ' A' ' 11' ' ' PRO . 35.3 mt -140.79 142.04 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.0 t -160.15 162.78 34.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -104.74 153.23 21.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.519 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 41.6 tttt -106.08 132.28 52.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -123.41 179.33 4.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -42.81 -41.91 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -80.62 -53.72 6.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.75 -142.46 7.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.519 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 98.3 m-85 -98.12 135.78 39.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.932 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 105' ' ' PRO . . . -96.74 -133.74 7.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 104' ' ' GLY . 54.1 Cg_endo -69.74 142.74 48.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.381 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -109.19 159.93 16.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.414 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 84.0 m -112.07 137.48 50.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -104.26 118.68 37.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 93' ' ' PHE . 17.1 tt -115.6 146.77 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.415 ' NH1' ' HD2' ' A' ' 88' ' ' ARG . 56.4 mtm180 -119.71 114.13 21.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.47 ' CZ3' ' CD ' ' A' ' 113' ' ' GLN . 18.8 t90 -105.21 96.94 6.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 mt -51.54 125.69 15.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.47 ' CD ' ' CZ3' ' A' ' 111' ' ' TRP . 4.2 mm100 -124.78 177.4 6.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -146.21 -42.73 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -48.35 126.99 12.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 51.2 p -103.92 179.85 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.6 156.74 31.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.9 t -100.47 118.49 36.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.412 ' HA2' ' HD2' ' A' ' 120' ' ' PRO . . . 175.84 97.98 0.11 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.47 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.412 ' HD2' ' HA2' ' A' ' 119' ' ' GLY . 53.0 Cg_endo -69.79 153.08 69.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 24.0 p -50.01 161.07 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.7 m -128.57 159.23 36.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 p -118.62 130.18 55.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -149.6 128.16 12.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.68 175.77 53.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -68.78 93.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.878 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -155.28 134.15 12.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.55 178.02 42.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -18.11 37.07 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.729 2.286 . . . . 0.0 112.349 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.93 171.28 25.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.475 ' HB1' ' OG1' ' A' ' 107' ' ' THR . . . -108.56 151.37 41.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 152.07 69.37 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.641 2.227 . . . . 0.0 112.333 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 m -139.03 168.38 19.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.821 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 13' ' ' THR . 17.2 m 52.15 43.37 30.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.162 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -69.16 113.71 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -108.5 130.56 55.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.49 ' HB ' ' CD1' ' A' ' 111' ' ' TRP . 23.9 mt -121.43 129.45 75.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 m -126.66 174.03 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -89.01 129.45 35.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.437 ' HB3' ' C ' ' A' ' 22' ' ' GLY . 15.8 t30 -99.41 156.08 17.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.4 t -64.2 -38.09 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -109.78 29.3 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.437 ' C ' ' HB3' ' A' ' 19' ' ' ASN . . . 143.19 -135.88 6.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.432 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.574 HD12 HD21 ' A' ' 78' ' ' LEU . 43.7 mt -113.67 144.51 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -110.24 102.88 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.9 139.49 30.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.1 m -145.25 149.46 34.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -156.27 176.44 12.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -113.57 153.28 45.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.739 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 162.9 40.27 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.315 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 146.59 60.67 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.361 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.1 t -97.38 36.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.6 m -98.73 151.82 37.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.682 0.753 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 8.12 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.368 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.5 m -49.84 108.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -44.51 -79.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -90.75 153.32 20.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.722 HG21 ' OH ' ' A' ' 40' ' ' TYR . 37.9 mm -134.76 110.85 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 67.8 mt -70.62 160.25 32.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.965 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -45.51 150.22 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.722 ' OH ' HG21 ' A' ' 37' ' ' ILE . 30.8 m-85 -94.87 168.13 10.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 m -150.0 132.62 15.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.68 141.43 42.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -119.07 145.0 46.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.048 HD21 ' HB2' ' A' ' 81' ' ' ALA . 30.2 tp -119.65 117.35 28.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.491 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . . . -46.66 134.96 9.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.452 HD12 ' OG1' ' A' ' 48' ' ' THR . 23.8 pt -129.6 129.39 66.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.77 19.03 1.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.452 ' OG1' HD12 ' A' ' 46' ' ' ILE . 70.9 p -86.73 42.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.06 175.47 10.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -131.2 109.67 10.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.2 mmt -134.84 102.66 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -100.12 -59.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.11 81.81 5.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -170.32 158.21 5.99 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.71 48.69 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.246 . . . . 0.0 112.362 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 t -51.04 109.72 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -151.14 168.11 25.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 2.7 mt -146.15 126.23 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.8 t -73.93 107.2 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 58' ' ' LEU . 17.2 m-85 -97.64 129.32 44.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -109.75 140.74 43.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -63.98 119.16 9.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 64' ' ' TYR . 28.5 pt -108.28 -32.37 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.448 ' N ' HG13 ' A' ' 63' ' ' ILE . 1.5 t80 -117.93 132.41 56.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.1 t -125.71 93.58 3.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -166.84 -169.7 30.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.492 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.736 ' H ' HD23 ' A' ' 67' ' ' LEU . 2.1 pt? -108.91 -39.28 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.45 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 13.7 tptm -41.26 140.12 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 50.6 p -85.61 37.67 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 86.1 p -167.49 124.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 20.1 p -131.03 166.45 20.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 92.0 m -120.44 128.88 53.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 67.0 t -103.15 130.71 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 36.0 p -88.51 155.36 19.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.499 ' HA ' HD12 ' A' ' 78' ' ' LEU . . . -53.2 -51.19 62.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.089 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -37.42 -49.59 1.73 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -71.03 -43.73 67.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.815 0.341 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.574 HD21 HD12 ' A' ' 23' ' ' ILE . 18.1 mt -45.71 -43.17 12.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.01 -42.04 60.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -74.26 -26.7 60.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 1.048 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -60.1 122.0 13.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 82' ' ' HIS . 3.5 t60 -71.47 122.47 20.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 38.8 mm -86.82 107.84 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.33 99.2 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.501 ' O ' ' N ' ' A' ' 87' ' ' SER . 41.6 m-85 -89.21 17.04 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.9 p -59.59 75.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 85' ' ' TYR . 1.2 t 60.19 24.99 14.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 16.7 ttt180 -179.33 105.01 0.19 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.6 Cg_endo -69.78 88.53 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.248 . . . . 0.0 112.317 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.6 170.66 15.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 73.6 mt -103.09 129.44 54.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.5 t -86.9 109.46 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.718 ' CE1' HD13 ' A' ' 44' ' ' LEU . 52.3 m-85 -105.47 164.33 11.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -144.29 127.92 17.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 21.1 mt -134.24 132.56 55.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.2 t -142.24 163.2 33.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.86 149.65 25.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.42 ' HD3' ' CE2' ' A' ' 103' ' ' TYR . 17.4 tptm -110.01 134.74 51.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 100' ' ' GLU . 12.9 t-20 -126.31 165.4 19.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 99' ' ' ASN . 10.3 tt0 -36.35 -39.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -59.7 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.5 -147.04 10.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.42 ' CE2' ' HD3' ' A' ' 98' ' ' LYS . 54.3 m-85 -93.04 148.01 22.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.951 0.405 . . . . 0.0 110.923 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.418 ' HA3' ' HD2' ' A' ' 105' ' ' PRO . . . -115.49 -129.77 4.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.418 ' HD2' ' HA3' ' A' ' 104' ' ' GLY . 53.6 Cg_endo -69.7 143.91 52.67 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 0.0 112.372 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -116.75 144.43 44.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.475 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 28.4 m -110.26 143.02 41.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.423 ' NE2' ' HG3' ' A' ' 110' ' ' ARG . 12.0 tm0? -110.12 150.84 28.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 10.9 tt -151.4 132.59 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.423 ' HG3' ' NE2' ' A' ' 108' ' ' GLN . 17.3 mtm180 -101.66 98.11 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.49 ' CD1' ' HB ' ' A' ' 16' ' ' ILE . 33.0 t90 -81.79 99.33 8.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.36 129.97 44.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -105.84 42.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -61.54 -46.28 94.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -87.66 104.13 16.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.347 . . . . 0.0 110.904 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.1 t -134.83 97.9 3.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -96.86 88.73 4.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.6 t -120.28 42.15 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.82 157.75 32.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 108.98 2.19 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.2 t -166.14 147.1 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.8 m -52.01 168.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.945 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -125.41 95.13 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m -113.17 99.27 7.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.93 149.01 6.08 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t 66.2 43.23 2.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 m -122.6 -48.81 2.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.71 158.81 43.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD3' ' ND2' ' A' ' 99' ' ' ASN . 53.9 Cg_endo -69.72 147.2 62.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.332 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.49 174.7 7.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.423 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.17 148.11 33.91 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.565 0.698 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 112.19 3.0 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.6 m -95.3 153.49 17.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 m 75.02 41.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -71.26 111.44 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -101.74 144.42 30.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.5 mt -128.88 122.59 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.5 m -122.85 135.22 54.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -73.11 122.32 21.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -106.96 159.42 16.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 21' ' ' ASP . 7.1 p -58.76 -41.77 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' N ' HG13 ' A' ' 20' ' ' VAL . 35.4 m-20 -72.15 -28.8 63.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.92 -114.54 0.54 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.523 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.798 ' CD1' HD11 ' A' ' 78' ' ' LEU . 51.1 mt -119.12 137.62 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 24' ' ' HIS . 2.4 t-160 -105.59 99.53 9.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.725 HD21 HD11 ' A' ' 95' ' ' ILE . 1.1 tp -87.2 125.34 34.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.0 p -131.9 145.71 51.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 17.6 p90 -155.6 167.24 31.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -115.49 148.71 41.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.661 0.743 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 164.73 33.53 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.268 . . . . 0.0 112.307 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 155.95 64.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.5 t -97.18 33.94 1.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 86.8 p -131.98 138.66 32.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 79.53 0.94 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.712 2.274 . . . . 0.0 112.321 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.511 ' HB2' HD11 ' A' ' 37' ' ' ILE . 17.7 m -89.83 46.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 46.56 -161.43 0.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.506 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -50.9 118.81 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.343 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.511 HD11 ' HB2' ' A' ' 34' ' ' SER . 48.6 mm -96.01 92.45 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.685 HD12 ' HG2' ' A' ' 98' ' ' LYS . 69.3 mt -56.83 179.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -52.69 -174.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.408 ' O ' ' O ' ' A' ' 66' ' ' GLY . 13.0 m-85 -124.0 169.6 11.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 t -150.78 119.8 6.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -98.23 145.67 26.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.47 ' HB3' ' CB ' ' A' ' 60' ' ' PHE . 12.0 m-85 -128.01 156.41 42.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.858 HD21 ' HB2' ' A' ' 81' ' ' ALA . 28.6 tp -137.57 142.02 41.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.577 ' HB3' ' CD2' ' A' ' 82' ' ' HIS . . . -86.23 117.67 25.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.087 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 47' ' ' ARG . 30.4 pt -106.87 -36.79 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.446 ' N ' HG13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -175.08 151.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.8 p -89.66 109.94 20.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.44 -49.03 14.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -52.44 -42.14 63.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 65.5 mtm 52.79 40.47 30.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -110.59 167.57 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -78.84 45.16 0.59 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -64.12 155.09 80.33 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.609 0.718 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 86.63 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 m 43.06 43.22 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -96.13 142.6 28.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.8 mt -133.87 146.81 50.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.532 ' O ' HG13 ' A' ' 59' ' ' VAL . 6.3 p -98.48 109.01 23.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.578 ' CD1' ' HG3' ' A' ' 94' ' ' ARG . 10.3 m-85 -103.65 124.52 48.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -94.07 135.4 35.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 62' ' ' ARG . 5.5 tmm_? -55.46 122.74 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.476 HG13 ' N ' ' A' ' 64' ' ' TYR . 42.5 pt -113.68 -37.86 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.509 ' CD1' ' HB2' ' A' ' 71' ' ' CYS . 32.4 t80 -115.7 133.15 56.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 9.3 t -114.9 90.32 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.471 ' HA3' ' CZ ' ' A' ' 64' ' ' TYR . . . -155.03 179.6 30.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.513 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.831 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.7 pt? -124.23 -26.45 3.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.926 0.393 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.74 150.97 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.3 p -79.3 41.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.0 p -175.89 127.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.509 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 16.5 p -134.82 162.42 32.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.9 m -125.63 136.68 53.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.0 t -111.61 144.62 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.085 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.3 p -94.13 162.46 13.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.52 -49.94 75.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.22 -54.02 2.1 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -63.52 -49.58 72.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.798 HD11 ' CD1' ' A' ' 23' ' ' ILE . 13.2 mt -44.13 -45.96 8.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.35 -43.6 23.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -72.93 -22.5 60.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.858 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -59.23 132.07 52.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 45' ' ' ALA . 1.0 OUTLIER -85.67 123.79 31.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 80.4 mt -97.74 120.64 47.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -83.1 101.95 11.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' A' ' 87' ' ' SER . 19.1 m-85 -82.97 18.95 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.6 m -56.82 79.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 85' ' ' TYR . 2.6 t 50.1 25.05 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.608 ' HG2' HD21 ' A' ' 112' ' ' LEU . 6.5 ttm180 -178.7 105.0 0.2 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.729 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.7 Cg_endo -69.73 96.97 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.724 2.283 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.732 ' HB2' HD23 ' A' ' 112' ' ' LEU . . . -142.33 153.21 43.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 70.9 mt -99.82 133.88 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 45.0 t -93.96 140.52 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -132.24 167.8 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.578 ' HG3' ' CD1' ' A' ' 60' ' ' PHE . 9.4 mmt180 -142.67 135.98 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.725 HD11 HD21 ' A' ' 25' ' ' LEU . 46.2 mt -145.3 140.52 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.4 p -151.71 176.69 11.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.401 ' C ' ' CD2' ' A' ' 103' ' ' TYR . . . -134.34 148.95 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.685 ' HG2' HD12 ' A' ' 38' ' ' LEU . 14.4 ttpp -113.32 131.66 55.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.443 ' ND2' ' HB3' ' A' ' 34' ' ' SER . 28.6 m-20 -97.5 -68.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -134.83 -58.62 0.81 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -73.12 -54.87 7.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.458 ' HA2' ' CD ' ' A' ' 98' ' ' LYS . . . -176.66 -146.45 6.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 98' ' ' LYS . 47.4 m-85 -103.04 155.77 18.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.14 -106.54 2.52 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.16 17.13 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.249 . . . . 0.0 112.371 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.442 ' HB3' ' NH1' ' A' ' 94' ' ' ARG . . . -104.79 121.54 43.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.5 151.31 38.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -129.54 136.13 49.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 18.3 tt -137.58 136.76 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -104.56 103.82 13.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -88.12 95.71 10.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.732 HD23 ' HB2' ' A' ' 90' ' ' ALA . 31.9 mt -62.32 133.86 55.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -68.01 104.28 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.62 -102.76 0.15 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -109.04 123.7 49.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.36 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.3 m -134.35 123.77 24.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -143.81 171.65 13.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.0 p -157.26 165.0 37.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -39.81 133.42 2.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.473 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 2.56 3.4 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.4 p -49.37 154.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.9 p -40.32 -44.91 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -59.81 151.48 25.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.871 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 m -75.41 161.98 28.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.0 167.64 28.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p -59.79 157.61 11.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -54.11 -52.76 60.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.16 -157.77 12.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 125.85 12.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.685 2.257 . . . . 0.0 112.337 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.25 143.07 22.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.46 153.97 81.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.537 0.684 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 143.54 51.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.237 . . . . 0.0 112.336 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.5 m -132.66 154.93 49.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m 72.0 45.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.177 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.91 129.75 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -120.0 153.99 35.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.8 mt -135.07 121.02 31.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.3 m -122.82 129.58 51.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -67.46 135.2 52.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -112.0 151.27 29.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.7 m -54.86 -32.29 26.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -83.77 -28.04 28.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.69 -106.14 0.22 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.647 ' O ' HG23 ' A' ' 72' ' ' THR . 63.2 mt -129.86 140.14 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 111.099 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -114.2 97.16 6.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tp -81.82 132.36 35.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -139.63 159.21 42.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 41.0 p90 -165.34 167.08 18.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -105.37 155.53 37.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.652 0.739 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 159.83 51.97 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 31' ' ' THR . 53.6 Cg_endo -69.74 94.39 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.646 2.23 . . . . 0.0 112.376 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' PRO . 9.3 t -34.89 -37.22 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 31' ' ' THR . 68.9 m -36.12 154.67 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.671 0.748 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 6.39 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.347 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 p -81.21 108.36 14.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.55 51.34 0.84 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -130.61 29.49 4.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.757 0.313 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.575 HG21 ' CE1' ' A' ' 40' ' ' TYR . 4.9 mp -82.96 85.0 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' ILE . 41.8 mt -37.17 -45.83 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -161.77 159.8 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.575 ' CE1' HG21 ' A' ' 37' ' ' ILE . 5.8 m-85 -102.84 169.04 8.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.7 p -147.31 127.8 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.09 126.08 52.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -111.63 138.13 48.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.952 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.753 ' O ' HG23 ' A' ' 46' ' ' ILE . 18.9 tp -116.03 106.77 14.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.73 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . . . -44.84 125.96 5.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.865 HD13 ' H ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -131.23 172.21 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.3 mmm-85 -41.59 139.72 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 50' ' ' GLN . 7.8 t -113.91 151.66 31.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.16 -49.06 70.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.576 ' O ' HG23 ' A' ' 48' ' ' THR . 10.3 mm100 -72.0 145.24 48.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.7 mtm -124.99 109.22 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -135.39 122.47 21.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -49.38 -49.62 43.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -70.52 153.2 95.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 116.35 4.52 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.676 2.25 . . . . 0.0 112.325 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 57' ' ' GLN . 43.3 p -134.26 -174.92 3.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' SER . 5.1 pt20 -36.37 148.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.9 mt -130.23 145.16 51.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.0 p -105.27 131.42 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.73 ' CD2' ' HB2' ' A' ' 45' ' ' ALA . 3.5 m-85 -120.75 130.8 54.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.734 ' HG2' HD12 ' A' ' 46' ' ' ILE . 7.4 ptt? -107.37 158.21 17.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -76.32 121.93 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.494 HG21 ' HB3' ' A' ' 44' ' ' LEU . 40.1 pt -109.31 -33.79 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.478 ' N ' HG13 ' A' ' 63' ' ' ILE . 8.7 t80 -133.83 138.66 45.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.1 t -128.77 96.35 4.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.01 138.83 5.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.665 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.1 pt? -54.98 -37.9 67.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 110.933 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 8.5 ttmm -41.0 142.88 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 79.4 p -93.89 37.69 1.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.6 p -165.24 124.21 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 30.6 p -134.08 166.56 22.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 23' ' ' ILE . 86.8 m -121.86 141.0 51.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.414 HG12 ' HG ' ' A' ' 78' ' ' LEU . 90.8 t -110.69 138.93 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.2 p -95.59 172.14 8.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 76' ' ' GLY . . . -67.8 -58.9 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 75' ' ' ALA . . . -36.51 -42.61 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -78.98 -42.47 26.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.601 HD11 HD12 ' A' ' 23' ' ' ILE . 16.1 mt -50.65 -48.26 58.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.68 43.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -71.2 -23.38 62.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.47 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -62.65 129.39 40.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -77.4 92.75 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 76.6 mt -74.16 119.5 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.91 94.64 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 87' ' ' SER . 11.1 m-85 -76.6 7.07 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.0 m -47.86 87.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 85' ' ' TYR . 23.3 m 43.37 25.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.406 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 6.8 mtt180 -178.03 106.21 0.21 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.596 0.713 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 88' ' ' ARG . 53.4 Cg_endo -69.76 97.8 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.48 ' HB1' ' HG2' ' A' ' 110' ' ' ARG . . . -142.36 157.6 44.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 13.4 mt -105.2 133.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.436 ' CG1' ' CD ' ' A' ' 108' ' ' GLN . 74.1 t -97.43 122.26 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.437 ' CE1' HD13 ' A' ' 44' ' ' LEU . 51.1 m-85 -105.36 164.81 11.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.592 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 3.0 mmm180 -148.66 115.76 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.4 mt -128.54 146.91 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.1 t -148.65 170.75 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.419 ' HB1' HG12 ' A' ' 37' ' ' ILE . . . -110.0 139.08 45.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.07 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 103' ' ' TYR . 38.1 tttt -103.8 137.41 41.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 100' ' ' GLU . 22.1 p-10 -132.02 173.05 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 99' ' ' ASN . 31.0 mt-10 -36.82 -43.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -64.55 -64.95 0.74 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 172.41 -93.05 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.43 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 98' ' ' LYS . 39.8 m-85 -144.7 137.67 26.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.921 0.391 . . . . 0.0 110.946 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -111.84 -128.17 5.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.96 46.66 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.336 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.98 162.94 15.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 96.8 m -121.76 137.77 54.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.436 ' CD ' ' CG1' ' A' ' 92' ' ' VAL . 2.1 tt0 -116.89 148.28 41.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.4 tt -151.8 133.25 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.48 ' HG2' ' HB1' ' A' ' 90' ' ' ALA . 14.1 ttp180 -93.25 141.46 28.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -123.06 105.57 10.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.9 mt -76.77 105.58 7.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -82.09 171.45 14.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.69 -68.26 1.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -160.4 151.39 18.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 51.1 m -49.03 156.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -106.99 147.0 30.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.3 t -152.29 132.67 13.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 170.68 142.61 3.67 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 149.28 66.84 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.714 2.276 . . . . 0.0 112.334 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.7 t -121.07 153.51 37.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 123' ' ' GLY . 25.4 m -93.42 137.97 32.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 122' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 stop_ save_