data_1whk_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 1whk _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 ' 13' ' ' LEU . . . . . . . . . . . . . 25.4 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.778 0.323 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -126.21 -54.13 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -179.35 159.91 0.96 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.93 28.32 68.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.624 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 m -104.78 166.32 10.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.358 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -123.78 128.57 49.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.6 m -134.69 145.51 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.0 tp -110.16 131.97 54.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.33 140.94 58.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -98.76 33.29 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.49 -47.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -94.8 -19.18 20.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.0 m120 63.01 55.81 1.91 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.02 0.438 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -141.8 124.12 15.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.7 mtp -60.0 154.07 19.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.32 138.28 17.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.7 m -87.41 132.38 34.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.91 120.4 32.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.174 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -107.7 -50.27 3.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 33' ' ' VAL . 48.9 t80 -115.53 157.11 24.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.44 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 21.5 t -150.91 125.86 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.81 -176.0 21.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.12 154.72 66.03 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.501 2.134 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.413 HG21 ' CD1' ' A' ' 43' ' ' TRP . 65.5 p -108.14 172.46 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.02 -30.99 11.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.414 ' CD2' ' HB1' ' A' ' 39' ' ' ALA . 55.5 p90 -75.18 -31.2 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.414 ' HB1' ' CD2' ' A' ' 38' ' ' PHE . . . -123.78 170.71 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.2 p -108.71 90.8 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.3 175.16 28.91 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.3 mm -81.45 145.68 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.364 . . . . 0.0 111.069 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.413 ' CD1' HG21 ' A' ' 36' ' ' THR . 85.4 m95 -142.34 175.09 10.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.5 mt -139.21 107.5 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.91 97.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.521 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.9 mt -91.56 157.73 16.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -144.61 116.4 8.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.3 mt -93.81 166.69 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -98.36 35.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.0 t -175.9 174.38 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.37 86.13 7.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -143.65 35.96 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.81 -158.89 8.13 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.551 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -142.02 30.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -134.0 155.04 50.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -110.43 33.02 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.404 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 97.73 -44.5 1.83 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -136.72 156.31 48.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.43 114.37 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.18 -130.78 10.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -106.87 30.05 6.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.02 129.56 27.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.73 129.97 44.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -113.02 -31.31 6.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.404 ' CD2' ' HA2' ' A' ' 57' ' ' GLY . 15.2 p90 -171.22 179.8 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.8 t -133.83 119.02 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.1 p -161.5 173.45 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.443 ' CB ' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -61.35 167.47 4.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.94 124.51 15.87 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.668 2.245 . . . . 0.0 112.258 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.7 m120 61.78 51.28 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.067 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.443 ' CE1' ' CB ' ' A' ' 68' ' ' LYS . 3.4 m-85 -112.38 -50.22 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.38 171.67 31.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.449 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.6 m -143.11 163.02 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.76 0.314 . . . . 0.0 111.196 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.3 mt -118.48 119.78 35.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.406 ' CG2' ' CG1' ' A' ' 80' ' ' VAL . 3.1 m -139.16 166.15 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -98.96 152.41 37.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.416 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 84.1 Cg_exo -45.87 -56.87 2.52 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.476 2.117 . . . . 0.0 111.277 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.53 -23.46 40.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.719 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -87.08 -11.77 49.2 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 179.015 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.416 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 27.4 m -121.73 170.28 12.04 Favored 'Isoleucine or valine' 0 C--O 1.23 0.078 0 CA-C-O 120.874 0.369 . . . . 0.0 111.24 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.961 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.855 0.359 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -174.6 165.73 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.73 99.41 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.66 48.05 0.17 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.564 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 m -133.39 163.79 28.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 110.781 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -117.96 114.48 23.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 m -114.79 169.5 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.1 tp -138.55 149.25 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.84 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.1 mt -94.9 125.2 39.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t -68.87 -32.53 72.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.63 48.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.806 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.29 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.1 m120 62.56 49.58 3.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -131.71 106.62 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.2 mtp -59.97 148.32 35.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -152.81 149.84 28.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.084 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.7 m -88.76 143.23 27.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.08 129.15 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.097 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -109.43 -41.81 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -130.47 150.58 51.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.21 108.21 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.92 -177.59 37.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.423 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.1 -178.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.582 2.188 . . . . 0.0 112.411 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.9 p -132.94 162.97 30.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -81.28 -36.13 30.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.417 ' CD1' HG12 ' A' ' 59' ' ' VAL . 55.5 p90 -85.18 -44.95 12.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.27 178.35 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.2 t -137.46 96.56 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 172.39 -137.57 4.31 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.4 mt -117.94 105.84 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.342 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -126.19 159.72 32.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mt -127.48 124.65 38.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.78 85.65 0.65 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.527 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.6 mt -72.57 166.5 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -146.02 100.96 3.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 mt -82.31 161.11 22.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.68 -31.01 15.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.3 t -91.45 167.23 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.77 80.22 4.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -151.01 33.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.822 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.08 -166.88 22.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -131.01 30.96 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -156.54 154.36 30.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.35 -32.86 10.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 159.52 -28.81 0.38 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.44 146.9 51.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 111.069 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.417 HG12 ' CD1' ' A' ' 38' ' ' PHE . 21.4 t -139.16 127.06 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.38 -130.95 26.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.79 30.0 6.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.46 155.91 41.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.48 160.87 15.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -132.2 -46.71 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -152.98 171.33 18.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.78 103.32 9.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.89 -174.4 4.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 166.01 38.01 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.5 127.76 26.71 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.617 2.211 . . . . 0.0 112.274 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m120 61.61 60.56 1.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.029 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -130.74 -57.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -85.52 161.53 35.43 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.7 m -135.73 155.13 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.048 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.95 116.58 29.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.5 m -133.43 175.46 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 79' ' ' ARG . 5.5 mtt180 -109.29 151.87 42.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -45.51 -51.38 8.09 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.488 2.125 . . . . 0.0 111.304 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.3 m -55.49 -22.79 22.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.807 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 76' ' ' ARG . 5.3 mmt180 -95.41 -6.88 39.89 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.941 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.5 m -133.69 126.16 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-O 120.963 0.411 . . . . 0.0 111.651 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 46.7 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.858 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.849 0.357 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -121.43 -57.68 1.82 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.08 133.34 6.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.819 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.76 53.25 28.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.44 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.6 m -119.7 149.59 41.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -96.04 115.12 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.8 m -129.33 152.0 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.7 tp -111.89 147.36 35.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.9 mt -91.46 135.72 33.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.797 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 t -79.43 -25.97 41.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.6 p -93.89 -47.47 6.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.099 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -79.1 -29.64 43.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.051 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.8 t30 63.57 42.43 6.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -142.14 133.37 26.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.8 mtp -66.18 158.46 28.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -159.12 165.58 33.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.6 m -102.81 132.54 48.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 t -81.69 127.17 39.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -112.87 -48.34 3.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -116.8 143.63 45.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -147.61 111.36 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.61 -158.62 30.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.534 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.9 158.51 56.52 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.575 2.183 . . . . 0.0 112.344 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.408 HG22 ' CD1' ' A' ' 43' ' ' TRP . 80.4 p -117.62 177.65 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -110.86 -32.97 6.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.416 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 40.9 p90 -79.22 -31.83 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 38' ' ' PHE . . . -123.21 -176.52 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 p -130.27 89.83 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.45 -160.85 33.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.399 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.2 mt -101.46 121.93 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.408 ' CD1' HG22 ' A' ' 36' ' ' THR . 56.8 m95 -130.61 177.56 7.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 mt -140.89 135.75 31.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.37 85.56 1.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.8 mt -72.91 164.66 26.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.012 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.31 123.54 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mt -108.98 158.06 18.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -99.02 31.08 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.25 149.68 26.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.67 86.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -156.25 30.31 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.69 -158.54 16.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.545 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -144.9 31.9 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.825 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -164.82 164.99 20.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -98.82 -30.97 12.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.795 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.419 ' HA2' ' CE1' ' A' ' 65' ' ' PHE . . . 162.91 -29.07 0.25 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.596 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.58 155.75 37.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.37 100.34 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 -126.69 8.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -110.05 30.09 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.72 0.295 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -146.59 159.31 43.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.47 158.54 17.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -135.97 -58.2 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CE1' ' HA2' ' A' ' 57' ' ' GLY . 19.0 p90 -140.83 179.91 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.04 101.99 4.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.9 p -145.33 -177.18 5.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.412 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 32.7 mtmt -74.12 167.93 31.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.31 122.77 12.09 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.498 2.132 . . . . 0.0 112.27 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 61.04 63.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.412 ' CZ ' ' HE3' ' A' ' 68' ' ' LYS . 4.0 m-85 -129.23 -45.43 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.37 152.78 17.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.9 m -128.96 175.16 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.4 mt -125.38 128.22 47.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.0 m -144.84 170.26 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' ARG . 23.2 mtm180 -107.78 154.4 40.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.431 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 80.4 Cg_exo -44.67 -55.52 3.25 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.577 2.185 . . . . 0.0 111.506 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -55.85 -23.44 30.8 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.688 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 76' ' ' ARG . 4.8 mmm180 -87.6 -12.31 46.03 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.548 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 11.4 m -122.65 125.14 72.1 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.04 0 CA-C-O 120.965 0.412 . . . . 0.0 111.291 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.931 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -105.64 178.72 4.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.3 119.82 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.92 28.63 11.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -92.15 167.75 11.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -115.48 117.18 29.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.2 m -123.06 176.69 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.0 tp -133.57 143.55 48.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.5 mt -86.61 147.46 25.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.6 p -100.04 31.17 3.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.07 -47.43 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.7 m -95.41 -20.45 19.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.057 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 67.48 38.94 3.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.862 0.363 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -130.71 135.47 47.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.3 mtt -81.72 153.86 26.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.29 157.83 43.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.7 m -88.59 143.3 27.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.7 t -85.15 134.49 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.089 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -117.87 -44.45 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -124.29 144.6 49.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -145.46 106.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.76 -177.87 33.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.555 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.28 158.68 5.07 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.566 2.177 . . . . 0.0 112.384 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.41 HG22 ' CD1' ' A' ' 43' ' ' TRP . 1.4 p -107.7 176.79 5.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.82 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -110.82 -31.29 7.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -89.44 -44.03 10.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.77 -34.46 11.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.187 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.8 t 60.79 74.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.87 -115.54 0.38 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.453 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.1 mt -143.89 104.3 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.354 . . . . 0.0 111.201 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.41 ' CD1' HG22 ' A' ' 36' ' ' THR . 11.1 m95 -137.67 170.99 15.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 mt -137.45 118.8 14.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.66 89.17 0.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.525 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.8 mt -80.56 166.47 21.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.794 0.331 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -143.59 144.83 32.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.4 mt -113.54 173.47 6.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -94.08 -31.47 14.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.2 m -115.73 -179.62 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.96 103.03 13.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -164.19 30.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.19 -167.76 21.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.536 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -119.43 -42.32 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -89.72 170.19 10.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -96.58 -29.07 14.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.414 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 157.11 -25.91 0.49 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.566 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.5 173.09 11.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 111.101 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -136.14 100.04 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.995 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.73 -107.01 2.6 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.424 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -110.11 -24.29 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.715 0.293 . . . . 0.0 111.16 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.28 162.23 23.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.902 0.382 . . . . 0.0 111.061 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.6 150.66 48.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.749 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -129.18 -52.75 1.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.414 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 5.7 p90 -141.53 174.38 10.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -129.38 127.37 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.4 p -174.61 178.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 166.45 43.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.54 125.03 17.63 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.594 2.196 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 61.45 64.34 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -128.59 -48.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.05 174.89 29.28 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.9 m -149.94 147.93 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 111.127 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.7 mt -104.25 117.4 34.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.401 ' CG2' ' CG1' ' A' ' 80' ' ' VAL . 5.4 m -129.57 179.54 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 79' ' ' ARG . 6.0 mtt180 -107.07 154.12 40.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.424 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 79.9 Cg_exo -44.87 -55.87 3.06 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.554 2.169 . . . . 0.0 111.449 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -55.72 -23.25 27.96 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.847 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 76' ' ' ARG . 2.0 mmp_? -88.84 -11.15 45.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.74 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.424 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 5.6 m -125.02 125.39 69.44 Favored 'Isoleucine or valine' 0 C--O 1.23 0.053 0 CA-C-O 120.929 0.395 . . . . 0.0 111.353 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.913 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.0 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.898 0.38 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.14 48.59 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 60.78 158.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.0 46.92 78.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.86 170.92 14.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -122.95 107.06 11.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.9 m -105.31 176.36 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.8 tp -138.95 148.03 43.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 mt -90.96 128.83 36.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.9 p -88.56 56.93 3.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.91 -56.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.1 m -94.04 -22.3 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.78 75.45 0.32 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.853 0.358 . . . . 0.0 110.831 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -150.21 113.4 4.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.4 mmm -73.52 142.59 46.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.0 162.15 38.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.5 m -95.57 140.45 30.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.4 118.21 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.035 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -110.95 -32.05 6.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.038 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -134.39 145.34 48.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.4 t -148.58 107.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.051 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.54 -170.49 35.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.02 -178.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.589 2.193 . . . . 0.0 112.318 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.29 -176.39 4.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.794 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -108.47 -36.45 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -89.11 -32.01 17.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.8 -169.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.94 117.04 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.68 -149.59 21.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.523 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.0 mt -107.31 99.96 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.759 0.314 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -111.44 166.12 11.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.757 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mt -134.89 123.21 23.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.95 80.5 1.82 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.7 mt -67.89 167.32 13.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -150.36 102.39 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.32 170.1 16.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -106.42 31.29 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.403 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 2.8 p -163.16 176.67 9.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.69 81.92 3.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.009 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.41 35.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -132.35 -166.9 11.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -130.77 31.52 4.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -139.96 145.05 37.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -95.53 -31.2 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.95 -27.82 0.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.552 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.58 146.11 51.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.09 106.82 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.173 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 -130.35 10.19 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.92 30.03 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -148.44 161.11 42.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.32 162.29 18.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -137.2 -47.06 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.413 ' CE1' ' HA3' ' A' ' 72' ' ' GLY . 17.1 p90 -146.82 161.3 40.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 t -115.56 102.28 9.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.65 -172.55 3.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -81.85 170.17 16.04 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -60.65 125.03 16.26 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.631 2.221 . . . . 0.0 112.28 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 61.75 52.14 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.039 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 50' ' ' SER . 4.3 m-85 -120.97 -42.32 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.413 ' HA3' ' CE1' ' A' ' 65' ' ' PHE . . . -92.25 172.5 34.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.518 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.9 m -149.45 143.61 18.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.823 0.344 . . . . 0.0 111.222 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 mt -99.98 121.27 41.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.5 m -141.91 158.93 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 20.1 mtt180 -98.72 149.59 35.89 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.04 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 89.0 Cg_exo -46.37 -55.87 3.39 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.444 2.096 . . . . 0.0 111.12 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.79 -23.72 45.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.735 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -87.42 -11.54 48.85 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.404 179.005 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.413 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 30.1 m -124.81 -179.98 2.67 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 CA-C-O 120.903 0.382 . . . . 0.0 111.143 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.1 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.879 0.371 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.413 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 22.2 p-80 -140.95 -172.94 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -85.17 131.68 34.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.02 42.63 7.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.413 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -117.82 179.47 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.891 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -124.67 151.64 44.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.4 m -155.92 178.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.6 tp -135.28 132.81 38.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.3 mt -73.67 145.31 45.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -98.88 31.24 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.1 m -147.38 -47.53 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.71 -21.78 23.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.014 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.45 35.47 5.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.935 0.398 . . . . 0.0 110.795 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -128.11 136.54 51.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 59.8 mtp -71.46 157.34 38.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.7 168.99 23.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.7 m -111.65 140.69 46.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.93 123.89 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -116.75 -40.39 3.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -125.69 151.06 47.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.987 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.48 100.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.46 -163.62 37.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.542 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 -169.92 0.36 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.624 2.216 . . . . 0.0 112.235 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.416 ' HB ' ' CE2' ' A' ' 38' ' ' PHE . 6.0 p -141.51 -179.88 6.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -109.55 31.4 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 39' ' ' ALA . 52.7 p90 -151.5 -46.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.987 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.452 ' N ' ' CD1' ' A' ' 38' ' ' PHE . . . -101.46 174.33 6.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.7 p -118.93 119.81 35.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.5 -149.55 19.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.448 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.8 mt -103.15 156.83 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -155.71 167.37 30.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mt -139.0 107.83 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.97 78.37 0.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.548 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.5 mt -66.39 165.7 13.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.25 105.8 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mt -74.69 167.9 20.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.9 -31.48 20.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.95 -169.15 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.1 93.74 7.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -148.39 37.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -130.43 -165.87 11.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.522 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -138.53 31.3 2.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.866 0.365 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -142.64 157.17 44.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -114.6 33.06 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.7 -28.49 14.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -136.62 143.21 43.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 111.132 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -121.04 109.23 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.69 -128.14 8.3 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -104.44 30.03 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.48 155.43 43.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.16 172.52 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -154.41 -47.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.412 ' CE2' ' HA3' ' A' ' 72' ' ' GLY . 12.3 p90 -149.58 -178.49 6.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -126.68 126.68 43.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.3 p -164.75 -174.89 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -88.8 172.04 8.18 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -51.76 116.14 2.56 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.619 2.212 . . . . 0.0 112.283 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 60.82 61.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -119.91 -44.1 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.412 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -96.58 169.68 26.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.5 m -140.83 155.55 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.1 mt -106.23 123.06 47.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.2 m -151.3 172.09 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.043 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' ARG . 36.0 mtm105 -109.96 158.17 35.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -45.72 -52.55 6.7 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.625 2.217 . . . . 0.0 111.352 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -55.56 -22.72 23.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.812 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -93.74 -8.75 39.81 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.903 179.324 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.4 m -132.81 124.46 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 CA-C-O 120.979 0.419 . . . . 0.0 111.46 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.4 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.797 0.332 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -99.74 -176.53 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -75.59 107.75 7.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.99 44.18 0.64 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.557 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.5 m -122.55 172.45 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -121.35 125.75 47.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 m -138.09 149.95 24.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.122 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 tp -113.7 146.92 39.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.9 mt -93.21 119.0 31.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.1 p -61.44 -30.54 70.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.52 -65.99 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -28.8 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.2 t30 63.49 39.17 9.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -139.23 138.73 37.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 34.0 mtp -68.32 157.21 36.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.64 148.92 23.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -96.33 136.34 36.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.96 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.51 123.31 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.125 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -110.79 -48.29 3.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -120.07 138.36 53.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.59 113.18 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.12 -179.37 34.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.13 157.44 6.31 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.671 2.247 . . . . 0.0 112.288 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.2 p -119.42 -177.67 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -107.72 -50.7 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.1 p90 -70.61 -42.03 71.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -97.34 -179.15 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.07 113.59 12.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.06 -135.97 8.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.1 mt -120.53 124.57 72.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 111.162 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.415 ' CZ2' ' HB1' ' A' ' 39' ' ' ALA . 48.0 m95 -127.91 170.12 13.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 mt -133.27 122.65 24.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.03 74.87 1.96 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.82 156.94 34.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.805 0.336 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -138.63 99.92 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.8 mt -74.37 174.06 9.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -98.37 -27.8 13.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -103.65 174.7 5.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.406 ' CB ' ' CE1' ' A' ' 71' ' ' TYR . . . -93.05 73.92 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mmtm -133.87 33.75 3.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.69 -164.32 18.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.401 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.37 31.92 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -147.66 169.43 19.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -119.41 32.24 6.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.405 ' HA2' ' CE1' ' A' ' 65' ' ' PHE . . . 100.61 -33.18 6.58 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.537 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.08 158.69 43.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.26 117.01 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.12 -132.43 11.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.492 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.22 30.08 6.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 110.994 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -139.41 154.91 47.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.41 139.01 49.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -120.34 -42.66 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.405 ' CE1' ' HA2' ' A' ' 57' ' ' GLY . 18.2 p90 -155.4 176.48 12.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.96 111.99 13.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.1 p -148.75 -176.41 5.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -76.37 164.34 60.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.82 122.74 11.54 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.572 2.181 . . . . 0.0 112.301 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 59.38 65.09 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.406 ' CE1' ' CB ' ' A' ' 51' ' ' ALA . 3.5 m-85 -127.73 -53.7 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.36 164.9 36.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.0 m -146.73 123.09 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.86 114.87 22.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.5 m -131.28 168.58 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -98.78 154.18 37.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.416 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 82.3 Cg_exo -45.59 -53.44 5.56 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.456 2.104 . . . . 0.0 111.352 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -56.19 -23.58 36.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.815 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' ARG . 1.2 mmp_? -89.11 -9.63 50.34 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.63 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.416 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 34.8 m -125.09 174.11 9.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 CA-C-O 120.86 0.362 . . . . 0.0 111.271 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.8 160.79 37.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -59.96 137.3 58.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.99 -28.13 17.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.56 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 m -65.72 173.01 3.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -116.69 165.04 13.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.2 m -157.63 176.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.239 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.8 tp -143.33 135.26 26.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.49 145.6 30.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.62 30.64 3.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -134.45 -47.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -99.0 -19.44 17.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t30 67.3 38.93 3.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -124.74 133.94 52.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.4 mmm -65.9 152.87 43.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.74 146.15 27.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.3 m -95.93 140.93 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.045 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -87.47 117.47 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.152 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -104.91 -31.06 9.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -139.93 154.21 47.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.0 t -148.55 100.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.09 174.15 46.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.11 142.75 47.17 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.532 2.154 . . . . 0.0 112.259 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.5 p -93.95 -178.63 4.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -108.03 -33.07 7.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 39' ' ' ALA . 53.4 p90 -79.22 -41.52 28.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' N ' ' CD1' ' A' ' 38' ' ' PHE . . . -95.04 -175.26 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.7 m -131.91 104.73 7.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.31 -137.17 7.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.512 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.3 mt -127.02 133.83 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -134.16 159.34 41.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mt -116.65 109.11 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.59 85.85 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.516 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.3 mt -72.52 166.64 22.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -148.03 111.88 5.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mt -93.98 156.1 16.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.55 32.53 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.4 t -160.84 151.14 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.15 75.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -136.26 34.35 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.42 -148.64 5.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.53 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -145.83 -47.39 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -60.22 152.57 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -111.3 33.1 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.418 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 99.65 -38.29 3.17 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -130.29 146.05 51.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 111.047 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.0 t -127.85 139.92 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.7 -129.46 48.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -110.02 30.07 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -137.93 176.32 8.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.4 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -130.14 161.53 30.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 63' ' ' ARG . 42.7 m-85 -145.99 -49.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.418 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 13.7 p90 -145.93 -178.08 5.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.31 116.89 11.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.9 p -156.74 175.69 13.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -60.93 161.43 15.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -56.77 123.27 13.46 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.624 2.216 . . . . 0.0 112.276 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 61.7 61.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -133.65 -46.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.416 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -90.84 159.76 26.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.9 m -139.2 176.37 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.174 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mp -144.21 129.24 18.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 m -141.69 179.63 2.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.087 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' ARG . 73.0 mtp85 -98.84 153.27 37.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.072 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.438 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 82.6 Cg_exo -45.79 -56.26 2.97 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.489 2.126 . . . . 0.0 111.35 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 p -55.87 -23.8 33.23 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.612 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -85.07 -13.26 50.93 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.566 179.043 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 16.6 m -119.24 134.47 62.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 CA-C-O 120.875 0.369 . . . . 0.0 111.368 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.859 0.362 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.08 170.82 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.86 126.24 30.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.987 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.49 34.08 6.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.4 m -104.6 177.82 4.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -127.66 118.04 23.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.31 156.23 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.3 tp -116.99 150.43 38.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.7 mt -92.94 128.48 38.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.9 p -88.28 58.1 4.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -164.51 -57.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 m -97.71 -14.6 20.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.245 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m120 65.17 77.18 0.31 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -155.03 133.74 12.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.801 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.1 mtt -80.44 150.46 29.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.97 148.01 27.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.2 m -92.16 139.08 30.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.032 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.0 128.18 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.146 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -107.29 -39.17 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -133.0 150.37 52.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -144.52 116.13 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.97 171.84 26.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.17 166.46 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.582 2.188 . . . . 0.0 112.307 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.419 HG21 ' CE1' ' A' ' 64' ' ' TYR . 48.4 p -123.66 175.96 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -103.43 -40.73 6.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.405 ' CD2' ' HB1' ' A' ' 39' ' ' ALA . 50.3 p90 -69.46 -44.19 71.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HB1' ' CD2' ' A' ' 38' ' ' PHE . . . -119.83 174.12 6.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.13 174.69 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.03 -139.52 15.78 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.6 mp -135.6 126.57 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.06 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.417 ' CD1' HG22 ' A' ' 36' ' ' THR . 48.0 m95 -122.08 172.5 8.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.3 mt -133.63 129.81 37.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.73 77.26 2.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.2 mt -66.52 159.9 26.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.333 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -142.88 120.21 11.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.3 mt -100.46 169.08 9.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -107.92 31.58 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.444 ' CA ' ' CE2' ' A' ' 71' ' ' TYR . 73.3 p -162.23 158.06 23.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.415 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . . . -82.77 74.46 9.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -142.03 31.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.76 -135.22 6.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.555 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.0 -50.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -80.95 171.05 15.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -107.71 -32.1 7.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.423 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 164.83 -29.94 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.9 160.4 39.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.807 0.337 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.63 117.63 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.21 -126.67 8.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.436 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.74 29.99 5.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.24 148.38 18.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.09 150.9 38.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.422 ' CD2' HD13 ' A' ' 74' ' ' LEU . 66.1 m-85 -114.11 -19.71 11.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.229 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 8.8 p90 -160.39 174.38 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.946 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.33 112.35 12.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.12 -174.8 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -70.55 167.32 27.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.47 127.45 17.33 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.448 2.099 . . . . 0.0 112.23 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 64.22 45.23 4.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.444 ' CE2' ' CA ' ' A' ' 50' ' ' SER . 4.0 m-85 -116.5 -45.23 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.68 176.8 30.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.6 m -150.75 169.72 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.184 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.422 HD13 ' CD2' ' A' ' 64' ' ' TYR . 8.1 mt -122.9 113.75 19.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.7 m -136.01 162.46 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -99.55 152.54 37.84 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.42 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 80.9 Cg_exo -45.19 -58.1 1.77 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.436 2.091 . . . . 0.0 111.355 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.27 -23.52 36.92 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.689 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.4 OUTLIER -85.26 -13.78 48.73 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.414 178.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.42 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 21.8 m -120.26 169.36 11.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.065 0 CA-C-O 120.814 0.34 . . . . 0.0 111.176 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.809 0.338 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -165.56 36.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 61.29 113.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.75 52.4 0.54 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.96 162.84 40.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -95.89 135.7 37.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.3 m -142.24 137.15 29.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.2 tp -96.87 156.45 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.2 mt -100.32 144.55 29.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.3 p -99.27 31.25 3.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.3 m -143.47 -47.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.42 -22.54 17.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.057 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.45 44.99 2.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.816 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -136.21 122.24 20.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.57 155.05 36.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.39 157.87 39.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 m -97.64 137.29 36.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -79.14 122.63 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.07 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -110.73 -31.31 7.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.984 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -141.03 136.09 31.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.976 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.6 t -132.51 128.16 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.23 -167.18 29.01 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.495 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.4 167.64 24.68 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.565 2.177 . . . . 0.0 112.273 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.0 p -130.17 155.22 46.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -80.14 -41.72 24.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.0 p90 -70.17 -40.43 74.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.403 ' HB3' ' CZ2' ' A' ' 43' ' ' TRP . . . -111.9 -175.86 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.143 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.3 p -128.22 146.82 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.01 -129.67 9.92 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mt -126.83 143.35 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.848 0.356 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.403 ' CZ2' ' HB3' ' A' ' 39' ' ' ALA . 67.3 m95 -144.14 170.84 15.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 mt -135.03 116.82 15.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.43 75.56 1.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.61 156.37 36.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -138.86 107.11 5.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.0 mt -78.3 179.72 6.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.51 -31.57 11.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.4 m -111.11 -179.44 3.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.15 103.47 15.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.56 30.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -118.88 -132.01 4.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -154.28 -46.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -68.58 175.8 3.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -134.38 30.8 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.419 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 101.23 -54.7 0.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.489 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.61 149.17 28.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.754 0.312 . . . . 0.0 111.103 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.92 99.96 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.17 -121.19 5.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -109.26 30.05 6.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -140.94 175.65 9.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -135.02 166.09 23.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -150.95 -46.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.706 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.42 ' CE2' ' HA3' ' A' ' 72' ' ' GLY . 43.8 p90 -153.48 171.06 19.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 47.0 m -144.91 118.77 9.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 50.0 t -146.61 -70.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 71' ' ' TYR . 1.2 mtmm -174.26 169.76 1.8 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.13 119.82 7.3 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.65 2.233 . . . . 0.0 112.315 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 59.53 49.28 8.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.105 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.435 ' CD1' ' HB3' ' A' ' 68' ' ' LYS . 2.6 m-85 -114.1 -32.36 6.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.42 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -111.18 -173.78 19.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.416 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 m -156.65 162.65 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.73 107.08 12.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.01 162.71 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 14.1 mtt-85 -93.83 154.67 40.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.181 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.436 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 83.2 Cg_exo -46.13 -57.72 2.06 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.485 2.123 . . . . 0.0 111.266 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 p -56.34 -23.24 36.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.688 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 76' ' ' ARG . 11.9 mmt-85 -85.84 -12.55 50.51 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.454 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.436 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 15.6 m -119.95 130.91 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.064 0 CA-C-O 120.959 0.409 . . . . 0.0 111.268 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.921 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.807 0.337 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -145.37 -178.16 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -77.46 145.73 36.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.24 37.45 59.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.3 m -111.64 167.52 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -113.22 129.55 56.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.3 m -141.21 171.17 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.9 tp -134.93 145.61 48.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 mt -90.66 122.34 33.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.7 p -66.03 -29.81 70.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.4 t -88.56 -65.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -59.35 -28.39 66.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t30 63.35 35.12 12.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -131.13 141.21 50.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.8 mmm -68.01 138.78 56.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.62 144.26 41.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.7 m -95.83 141.11 29.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -84.45 123.24 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.085 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -110.66 -31.01 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -147.08 153.03 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.0 t -147.67 109.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 175.04 -157.3 24.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.16 -170.69 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.567 2.178 . . . . 0.0 112.304 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.421 HG21 ' CZ ' ' A' ' 64' ' ' TYR . 1.1 p -146.49 152.67 39.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.96 40.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.411 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 46.5 p90 -159.27 -45.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.411 ' HB1' ' CE2' ' A' ' 38' ' ' PHE . . . -100.48 -25.74 14.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.235 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.4 m 61.85 89.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.54 -171.25 42.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.424 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.7 mp -88.76 100.3 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 0.0 111.124 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -113.96 175.64 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 mt -142.05 103.94 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.78 89.17 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.6 mt -76.62 172.6 12.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.363 . . . . 0.0 111.02 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.66 113.87 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.3 mt -87.06 178.95 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.84 30.07 6.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.41 -173.58 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.36 74.82 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -136.93 31.27 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.23 -134.39 4.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.541 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.62 -46.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -73.64 163.51 27.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -103.24 -30.23 10.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.87 -28.66 0.92 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.92 138.91 32.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.4 126.92 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.38 -126.97 8.09 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -109.37 30.12 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.734 0.302 . . . . 0.0 110.951 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -153.27 158.55 41.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -123.79 146.92 47.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.421 ' CZ ' HG21 ' A' ' 36' ' ' THR . 65.2 m-85 -112.14 -22.31 11.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.17 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -167.29 174.07 8.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.823 0.344 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -117.96 133.91 55.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.1 p -176.82 -176.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -86.93 171.06 10.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.03 124.19 15.66 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.512 2.142 . . . . 0.0 112.321 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 60.73 55.6 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.015 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.415 ' CE2' ' HB2' ' A' ' 68' ' ' LYS . 3.0 m-85 -116.16 -48.05 2.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.797 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.44 170.37 28.37 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.4 m -141.84 117.13 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.358 . . . . 0.0 111.174 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 mt -76.89 114.79 16.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.787 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.9 m -141.35 171.47 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.235 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 79' ' ' ARG . 39.8 mtp180 -106.6 159.09 31.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.43 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 79.6 Cg_exo -44.81 -54.4 4.21 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.537 2.158 . . . . 0.0 111.382 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.66 -23.27 27.21 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.822 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' ARG . 2.5 mmm180 -89.28 -11.53 43.24 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.684 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 6.3 m -123.92 125.24 70.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 CA-C-O 120.989 0.423 . . . . 0.0 111.283 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.29 -175.09 3.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.803 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -91.89 140.68 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.6 32.15 62.09 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -108.4 176.03 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.352 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -117.95 149.38 41.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.7 m -145.86 178.46 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.1 tp -143.43 131.41 21.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.8 mt -76.61 138.75 40.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 t -101.81 30.88 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.3 p -119.48 -54.45 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -124.67 15.63 8.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.286 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 53.38 87.24 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.87 0.367 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -154.37 121.23 5.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 93.3 mtp -77.3 156.27 31.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -159.95 155.56 25.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.1 m -97.76 132.34 43.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.13 127.91 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.155 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -116.06 -39.96 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -127.87 147.49 50.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.989 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -144.1 105.45 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.216 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.54 170.06 24.63 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.482 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.28 145.17 36.47 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.605 2.204 . . . . 0.0 112.289 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.2 p -102.23 -179.41 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -98.23 -39.51 8.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -66.76 -36.26 82.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -131.14 169.95 15.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.56 161.82 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.85 -135.18 12.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.08 146.51 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 111.089 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -145.42 175.76 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.774 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.0 mt -145.53 110.07 5.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.91 85.67 0.67 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.388 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.1 mt -74.22 168.53 19.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -149.5 128.19 12.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.1 mt -100.33 178.51 4.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 30.51 7.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.408 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -173.61 -175.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.42 81.33 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -141.09 33.96 1.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.37 -170.38 12.11 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.458 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -41.61 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.752 0.31 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -87.95 150.3 23.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -80.05 -24.09 40.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.068 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.411 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 165.39 -29.81 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -134.67 165.81 24.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.86 0.362 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.79 109.15 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.05 -130.67 10.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.504 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -110.03 30.05 7.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.748 0.309 . . . . 0.0 110.998 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -128.74 178.44 6.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.08 143.73 50.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -135.39 -56.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.411 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 5.1 p90 -138.47 162.33 34.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.6 m -120.69 119.11 31.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.3 p -162.39 176.09 10.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.19 169.46 11.68 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.7 124.82 16.62 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.57 2.18 . . . . 0.0 112.281 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 61.36 54.71 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.408 ' CE2' ' HA ' ' A' ' 50' ' ' SER . 3.4 m-85 -122.85 -44.24 2.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.407 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -97.17 164.99 22.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.8 m -147.82 148.34 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -107.1 128.76 54.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.7 m -143.9 179.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 79' ' ' ARG . 12.5 mtm180 -109.9 152.54 43.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.435 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 83.6 Cg_exo -45.4 -53.69 5.2 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.485 2.124 . . . . 0.0 111.339 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.83 -23.55 31.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.783 178.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 76' ' ' ARG . 16.0 mmm-85 -89.3 -10.29 47.36 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.631 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.435 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 34.7 m -122.77 167.11 16.73 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 CA-C-O 120.904 0.383 . . . . 0.0 111.344 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.897 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.788 0.327 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -106.49 159.77 15.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -71.06 134.96 47.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.31 37.2 70.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.538 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -103.04 168.78 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -106.52 125.91 51.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.2 m -128.98 142.24 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.8 tp -104.08 145.24 30.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.08 139.1 31.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 t -98.73 31.47 2.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.26 -47.91 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 m -131.75 10.68 4.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.313 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 m120 54.7 83.99 0.07 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.81 0.338 . . . . 0.0 110.995 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.62 120.86 9.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 60.8 mmm -70.62 150.72 45.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.39 -179.94 7.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.3 m -126.98 125.85 42.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -77.11 124.51 35.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.182 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -111.54 -33.85 6.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -143.65 141.18 30.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.8 t -133.21 112.93 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.65 -172.59 40.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.43 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.06 175.85 7.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.626 2.217 . . . . 0.0 112.286 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.414 HG22 ' CD1' ' A' ' 43' ' ' TRP . 69.3 p -127.83 176.46 7.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -102.97 -31.26 10.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.417 ' CE2' HG12 ' A' ' 59' ' ' VAL . 52.9 p90 -78.28 -31.22 48.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HB1' ' CD1' ' A' ' 38' ' ' PHE . . . -125.55 179.3 5.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.1 m -125.69 88.46 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.83 176.53 43.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mp -83.35 111.97 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 111.153 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.414 ' CD1' HG22 ' A' ' 36' ' ' THR . 85.0 m95 -115.17 179.64 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.1 mt -145.27 125.28 13.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.7 80.2 1.59 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.527 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 85.1 mt -79.75 167.65 20.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.995 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -151.48 107.67 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.3 mt -73.31 165.7 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -100.67 32.23 3.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.06 173.54 1.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.8 97.0 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.04 30.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.38 179.81 16.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -110.6 -36.07 5.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -79.09 -179.38 6.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -133.2 29.97 3.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.425 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 95.41 -37.05 3.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.578 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -111.91 130.58 55.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.417 HG12 ' CE2' ' A' ' 38' ' ' PHE . 20.7 t -112.03 105.43 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.95 -113.08 4.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.0 24.34 13.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.754 0.312 . . . . 0.0 111.003 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -160.03 137.91 9.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.91 148.68 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -115.21 -10.72 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.337 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.425 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 21.2 p90 -162.94 158.82 22.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 m -110.05 137.45 47.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.831 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.2 p -176.7 178.54 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -80.47 169.22 20.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.4 122.98 12.19 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.612 2.208 . . . . 0.0 112.258 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 61.08 64.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -125.15 -61.04 1.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -93.37 161.3 25.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.444 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.5 m -134.04 179.54 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.353 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mp -130.89 120.49 23.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.6 m -139.46 171.05 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.052 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 79' ' ' ARG . 1.3 mtt180 -99.81 151.06 37.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -45.93 -50.66 9.44 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.441 2.094 . . . . 0.0 111.346 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.46 -23.12 23.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.708 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.9 OUTLIER -91.33 -10.41 41.39 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.863 179.262 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 m -131.21 125.08 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 121.061 0.457 . . . . 0.0 111.594 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.1 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.845 179.83 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.7 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.782 0.325 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -101.99 175.42 5.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -77.6 114.14 16.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.12 36.03 1.55 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.406 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -122.54 173.62 7.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -122.66 135.78 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.4 m -137.83 143.2 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 tp -112.87 127.65 56.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.4 mt -67.68 145.01 55.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 t -99.0 31.08 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.3 m -141.66 -47.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.66 -21.81 17.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.054 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 67.37 42.62 2.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.876 0.369 . . . . 0.0 110.806 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -128.77 121.99 29.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 30.6 mtp -68.03 144.73 55.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.24 146.09 38.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.6 m -89.66 139.67 30.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.23 134.04 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.106 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -120.01 -45.89 2.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -131.54 145.62 51.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -145.52 100.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 177.6 -163.13 31.39 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.03 -174.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.602 2.201 . . . . 0.0 112.322 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.73 171.83 15.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.46 -56.67 2.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.409 ' CD1' ' CG1' ' A' ' 59' ' ' VAL . 49.1 p90 -61.14 -35.75 77.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.09 -170.57 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.91 -177.34 3.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.7 -139.36 20.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.444 HD12 HG22 ' A' ' 42' ' ' ILE . 30.7 mt -131.26 134.54 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.897 0.38 . . . . 0.0 111.086 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -131.49 166.84 20.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.2 mt -123.9 117.42 24.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.35 78.0 0.58 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.59 160.29 31.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.329 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -145.69 103.54 3.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.8 mt -80.62 163.97 23.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.24 30.95 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 p -170.63 154.37 4.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.79 86.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.066 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.03 31.91 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -122.89 -141.69 5.98 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -152.3 -47.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -70.25 148.24 48.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -99.04 26.95 5.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.32 -42.19 2.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.23 112.27 22.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 111.196 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.409 ' CG1' ' CD1' ' A' ' 38' ' ' PHE . 21.5 t -98.07 106.58 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.5 -118.77 4.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.41 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -107.37 29.39 7.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.06 180.0 8.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.71 154.9 42.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -125.21 1.82 7.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.453 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -176.78 160.91 1.97 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -115.56 123.19 47.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.6 p -168.41 -177.28 3.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -80.88 168.77 22.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.34 120.98 8.17 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.468 2.112 . . . . 0.0 112.331 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 61.71 57.77 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 68' ' ' LYS . 4.0 m-85 -119.31 -48.18 2.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.799 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.09 173.04 32.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.497 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 m -152.56 158.91 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.45 124.75 51.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.821 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.8 m -135.31 179.48 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' ARG . 27.5 mtp85 -111.48 145.74 33.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.982 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.423 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 83.8 Cg_exo -45.6 -56.35 2.87 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.375 2.05 . . . . 0.0 111.315 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.5 t -56.15 -22.97 31.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.842 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 76' ' ' ARG . 52.7 mmm-85 -91.01 -8.84 47.98 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.666 179.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 35.0 m -123.01 167.0 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.075 0 CA-C-O 120.886 0.374 . . . . 0.0 111.131 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.003 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -110.31 146.64 35.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.03 139.33 58.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.86 28.81 22.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.525 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.99 179.15 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.348 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -119.29 121.98 40.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.7 m -119.23 154.4 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.2 tp -117.62 130.29 56.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -72.81 144.64 47.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.48 31.67 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.0 m -151.13 -47.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -87.4 -20.43 26.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 62.96 45.34 5.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 110.826 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.93 137.83 38.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.806 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.6 mtp -76.93 136.8 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.52 145.4 51.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.056 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.6 m -88.85 132.06 34.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.96 129.21 37.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.095 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -116.55 -39.1 3.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -130.55 150.13 51.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.1 t -150.12 104.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.19 -179.16 39.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.582 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.12 155.92 8.29 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.631 2.221 . . . . 0.0 112.359 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.5 p -122.02 -178.71 3.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.36 -45.29 3.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -63.96 -38.75 92.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.5 170.73 9.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.7 p -112.5 111.64 22.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.7 -162.87 28.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.9 mp -108.0 106.7 21.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.2 m95 -110.59 173.42 6.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.3 mt -132.38 121.5 23.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.66 78.79 0.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.392 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.2 mt -73.35 171.25 13.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.995 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.74 132.85 14.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.2 mt -105.06 172.27 6.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -108.82 31.22 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.6 p -168.66 170.44 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.54 90.46 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -154.3 36.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.14 -162.84 11.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.538 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.21 -51.25 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.735 0.302 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -77.98 147.54 34.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -98.66 31.42 2.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.414 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 100.61 -28.33 16.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.451 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.37 137.79 52.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.802 0.334 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.83 100.15 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.08 -116.62 4.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.421 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.93 30.01 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -159.97 157.59 29.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.24 149.22 52.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 64' ' ' TYR . 4.4 m-85 -118.0 -6.23 10.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.387 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.42 ' CE2' ' HA3' ' A' ' 72' ' ' GLY . 14.9 p90 -170.96 163.56 7.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.93 129.23 56.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.8 p -173.8 -178.9 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.47 167.19 38.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.3 122.27 11.2 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.564 2.176 . . . . 0.0 112.282 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 62.28 62.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -125.78 -52.11 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.42 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -91.32 177.8 41.21 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.0 m -150.5 165.75 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 0.0 111.235 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.0 119.56 25.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.5 m -137.27 179.89 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 79' ' ' ARG . 27.6 mtm105 -109.56 156.36 39.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -45.32 -51.26 8.07 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.524 2.149 . . . . 0.0 111.374 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 m -55.33 -22.98 21.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.785 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 76' ' ' ARG . 5.2 mtt180 -93.84 -10.1 35.15 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.961 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.6 m -133.64 124.88 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-O 121.061 0.457 . . . . 0.0 111.544 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.843 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.803 0.335 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -132.79 156.98 46.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -66.68 108.71 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.0 29.72 4.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.65 163.93 14.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -112.42 108.59 17.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -119.39 167.63 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.2 tp -132.38 137.02 47.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 mt -72.79 152.3 41.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -106.65 32.68 4.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 m -143.22 -47.57 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.816 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.7 m -94.98 -19.15 20.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.1 t30 67.43 37.87 3.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.827 0.346 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -125.76 134.29 51.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.02 158.65 29.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.57 149.53 23.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.6 m -86.65 142.59 28.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.12 134.48 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -116.94 -40.04 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -138.57 153.88 48.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -147.48 127.64 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.0 178.79 17.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.33 170.39 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.566 2.177 . . . . 0.0 112.256 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.8 p -121.92 -172.93 2.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.26 -31.04 9.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 39' ' ' ALA . 15.1 p90 -91.01 -31.45 16.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.444 ' N ' ' CD1' ' A' ' 38' ' ' PHE . . . -106.67 178.33 4.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.5 59.49 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.77 -128.99 1.3 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.7 mp -141.11 116.15 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 111.189 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -123.71 169.62 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.6 mt -125.71 126.64 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.36 85.7 1.33 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.541 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.3 mt -79.3 164.26 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -148.89 110.39 4.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.9 mt -80.15 -179.97 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -97.28 -33.91 11.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.934 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.8 p -115.74 177.49 4.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.403 ' CB ' ' CE1' ' A' ' 71' ' ' TYR . . . -77.97 89.23 4.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.99 48.38 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.33 -161.27 8.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.66 31.73 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.805 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -133.01 178.1 7.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -134.46 31.18 3.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.413 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 91.35 -51.37 3.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -130.69 164.84 24.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 111.133 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -151.97 123.18 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.1 -134.39 12.45 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -108.56 30.08 6.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -144.59 170.25 16.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.17 151.5 42.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.406 ' HB2' ' CD1' ' A' ' 65' ' ' PHE . 23.5 m-85 -130.77 -48.28 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.413 ' CD2' ' HA2' ' A' ' 57' ' ' GLY . 8.3 p90 -152.72 166.3 32.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.85 117.9 29.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.3 p -156.3 -177.11 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -81.35 163.0 56.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.19 117.94 4.09 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.488 2.125 . . . . 0.0 112.314 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 62.59 61.26 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.403 ' CE1' ' CB ' ' A' ' 51' ' ' ALA . 4.8 m-85 -128.24 -47.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -87.75 175.61 45.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 m -148.95 146.94 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 111.167 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.75 113.3 25.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.1 m -127.85 167.84 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -97.58 154.37 37.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.006 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.417 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 88.2 Cg_exo -46.2 -53.01 6.38 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.432 2.088 . . . . 0.0 111.21 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 p -56.05 -23.56 34.14 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.783 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' ARG . 26.3 mmt85 -87.91 -11.32 47.97 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.517 179.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.417 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 35.7 m -122.53 169.88 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.066 0 CA-C-O 120.9 0.381 . . . . 0.0 111.181 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.802 0.334 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -132.6 47.54 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 60.9 113.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.22 39.91 1.0 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 m -138.33 169.51 17.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.791 0.329 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -105.75 137.47 43.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.2 m -143.98 149.21 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 tp -115.83 142.76 46.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.6 mt -81.64 146.93 29.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.793 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.1 p -83.9 -24.47 30.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 m -93.1 -73.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -58.1 -26.56 62.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.96 38.05 8.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.754 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -123.88 143.15 50.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.0 mtp -75.76 148.96 38.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.0 146.83 29.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 m -90.42 137.24 32.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.64 114.21 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -108.04 -30.48 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -146.26 138.29 25.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.5 134.55 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.48 178.26 16.42 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.98 173.03 11.76 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.587 2.192 . . . . 0.0 112.288 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.3 p -122.64 168.5 12.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -31.53 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' A' ' 39' ' ' ALA . 55.6 p90 -81.9 -46.72 13.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.422 ' N ' ' CD2' ' A' ' 38' ' ' PHE . . . -111.57 155.63 23.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.56 143.26 33.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.81 -131.09 6.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.433 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.9 mt -135.36 125.8 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -131.12 140.94 50.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.63 106.62 14.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.42 77.87 0.13 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.8 mt -70.88 166.98 19.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -147.2 120.11 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.6 mt -95.45 162.68 13.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.8 -32.94 35.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.3 p -114.0 172.75 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.83 106.74 5.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -155.63 31.37 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -131.71 -170.99 12.73 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -138.43 31.19 2.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.859 0.362 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -145.76 149.69 34.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -98.42 30.75 3.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.423 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 66.81 26.27 73.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.54 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -160.05 135.76 8.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.0 107.87 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.88 -138.07 16.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -98.77 30.06 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.68 169.52 17.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -130.33 161.91 30.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -132.48 -56.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 11.7 p90 -136.68 168.51 19.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.7 m -121.54 125.75 47.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.1 p -166.95 -179.31 4.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -73.51 164.73 58.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.986 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.44 121.71 10.42 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.527 2.151 . . . . 0.0 112.278 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 60.98 56.73 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.406 ' CD2' ' HB2' ' A' ' 68' ' ' LYS . 3.6 m-85 -120.08 -43.63 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.71 174.18 27.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.5 m -140.95 162.63 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.827 0.346 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.1 mt -122.44 105.1 9.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.402 ' CG2' ' CG1' ' A' ' 80' ' ' VAL . 5.3 m -127.63 176.64 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -106.28 153.77 40.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.995 -179.892 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -46.78 -52.04 8.2 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.368 2.045 . . . . 0.0 111.194 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.0 m -56.0 -22.97 29.99 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.833 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' ARG . 1.6 mmp_? -92.15 -9.22 43.23 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.798 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.402 ' CG1' ' CG2' ' A' ' 75' ' ' VAL . 11.1 m -121.97 134.07 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 CA-C-O 120.942 0.401 . . . . 0.0 111.489 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.792 0.329 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -113.89 -66.78 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -178.2 152.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 59.61 28.89 65.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.499 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 m -99.94 168.05 10.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -109.04 148.84 30.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 m -151.68 175.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.0 tp -137.4 131.8 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.5 mt -73.41 145.27 45.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 t -98.71 31.44 2.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -131.72 -46.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.4 m -113.53 -8.51 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.259 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 m120 63.1 35.02 13.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -106.7 131.27 54.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 33.0 mtp -71.91 149.53 45.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.85 149.96 32.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.6 m -97.47 133.08 42.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.06 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.01 115.09 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -99.16 -34.86 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.04 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -143.4 143.1 31.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.23 114.58 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.19 -169.34 40.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.24 179.84 3.66 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.609 2.206 . . . . 0.0 112.313 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.409 HG23 ' CD1' ' A' ' 43' ' ' TRP . 14.1 p -131.87 -178.56 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.78 -30.31 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -83.07 -33.22 26.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.934 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.15 -37.84 4.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.174 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.37 105.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.782 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.08 -114.65 0.58 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.3 mm -137.16 100.93 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.409 ' CD1' HG23 ' A' ' 36' ' ' THR . 59.1 m95 -126.7 179.98 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 mt -143.39 127.13 17.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.09 91.92 1.14 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.8 mt -81.61 163.87 22.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -153.03 137.44 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.1 mt -120.53 173.55 7.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.93 36.21 3.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.0 t -170.64 174.35 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.64 68.12 5.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.05 33.23 4.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.937 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.74 -161.4 8.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.547 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.18 42.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 0.0 110.829 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -158.0 141.38 15.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -99.19 26.79 5.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 93.56 -41.86 2.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.59 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.98 137.62 42.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.8 t -127.11 117.88 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.66 -116.07 8.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -110.0 25.75 11.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.05 157.87 29.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.864 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 ptt-85 -126.84 145.04 50.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.983 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.407 ' CE2' HG21 ' A' ' 36' ' ' THR . 35.4 m-85 -112.25 -16.34 13.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.414 ' CD2' ' HA2' ' A' ' 57' ' ' GLY . 15.5 p90 -161.84 166.88 25.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.7 m -115.52 125.81 53.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.5 p -164.88 -174.82 3.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' CB ' ' CD1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -90.02 170.32 10.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.89 119.72 7.06 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.502 2.135 . . . . 0.0 112.275 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 63.91 51.88 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.413 ' CD1' ' CB ' ' A' ' 68' ' ' LYS . 8.5 m-85 -118.94 -41.95 2.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.77 169.86 19.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.8 m -143.3 158.12 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 111.113 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 mt -112.71 124.0 51.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.2 m -150.0 161.88 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 79' ' ' ARG . 18.3 mtt180 -97.38 159.31 31.5 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.459 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 85.2 Cg_exo -44.6 -55.84 3.01 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.509 2.139 . . . . 0.0 111.449 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 m -55.75 -23.21 28.03 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.896 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.9 OUTLIER -89.58 -10.13 47.21 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.718 179.173 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 24.3 m -121.96 138.18 53.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 CA-C-O 120.967 0.413 . . . . 0.0 111.337 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.82 0.343 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -87.56 -175.99 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -82.32 120.3 25.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.49 50.6 2.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -120.77 164.63 16.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -107.33 120.44 42.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.8 m -130.75 164.03 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.2 tp -120.17 154.0 35.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.0 mt -99.53 142.82 30.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -98.64 28.81 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.2 m -134.06 -46.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.764 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.2 m -103.48 -20.08 14.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 t30 67.83 41.81 2.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.938 0.399 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -127.99 137.54 52.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.86 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.39 159.91 32.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -158.22 141.57 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m -87.9 133.82 33.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.01 124.66 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.152 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -111.12 -41.48 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -131.92 153.57 50.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -152.0 138.38 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.89 -155.36 21.2 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.6 173.77 10.34 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.551 2.167 . . . . 0.0 112.281 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.402 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 72.7 p -139.65 -178.54 5.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -119.41 31.57 6.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.412 ' CD2' ' N ' ' A' ' 39' ' ' ALA . 54.9 p90 -149.16 -46.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.412 ' N ' ' CD2' ' A' ' 38' ' ' PHE . . . -93.5 -27.31 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.92 35.66 10.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.804 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -139.4 -163.54 9.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.3 mt -96.27 104.61 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 111.07 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -125.9 167.52 15.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mp -128.09 120.77 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.72 69.0 0.58 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.06 155.48 23.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.818 0.342 . . . . 0.0 110.972 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.29 107.64 5.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mt -85.29 160.17 19.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.93 36.95 1.47 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 m -170.15 148.29 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.78 97.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -162.1 35.48 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -124.92 -149.66 7.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.548 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -147.59 31.53 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.787 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -156.7 152.79 27.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -89.33 -31.57 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.415 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 159.33 -27.83 0.38 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.11 152.59 44.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.56 127.01 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.76 -127.69 36.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.9 29.93 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -143.29 154.98 44.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -107.4 159.83 16.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.412 ' CD2' HD23 ' A' ' 74' ' ' LEU . 54.3 m-85 -139.83 -48.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.415 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 7.8 p90 -150.06 179.08 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 t -136.22 124.06 22.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.0 p -167.56 -178.06 3.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.55 173.42 3.45 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.21 119.77 7.21 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.579 2.186 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 61.69 50.35 4.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.021 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -108.86 -31.61 7.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.33 160.93 13.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.6 m -138.41 167.25 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.412 HD23 ' CD2' ' A' ' 64' ' ' TYR . 1.9 mp -125.62 115.71 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.3 m -129.94 173.86 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.003 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 4.4 mtt180 -91.65 147.11 34.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.424 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 83.3 Cg_exo -46.18 -50.71 9.64 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.349 2.033 . . . . 0.0 111.144 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.2 p -56.19 -24.04 39.22 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.69 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 76' ' ' ARG . 14.6 mmm-85 -86.43 -11.4 51.98 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.517 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.424 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 28.9 m -122.04 164.22 19.32 Favored 'Isoleucine or valine' 0 C--N 1.338 0.07 0 CA-C-O 120.927 0.394 . . . . 0.0 111.178 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.2 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.816 0.341 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.06 34.6 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 60.52 110.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.9 34.79 1.21 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.89 168.62 17.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.354 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -100.46 145.58 28.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.1 m -147.27 167.46 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.0 tp -131.72 141.05 49.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.1 mt -89.73 149.48 22.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.44 31.3 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.8 m -138.64 -47.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -100.46 -16.21 17.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 m120 61.61 41.02 12.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.929 0.395 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -126.6 129.09 47.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.8 mtp -67.0 156.9 34.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.03 155.77 33.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.7 m -96.78 142.04 29.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.7 t -84.04 124.78 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.03 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -112.17 -35.11 5.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -140.53 153.63 46.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 t -145.05 121.65 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.93 -158.86 27.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.17 -175.87 1.4 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.565 2.177 . . . . 0.0 112.297 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.416 HG23 ' CD1' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -133.37 177.38 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -96.36 -30.44 13.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.419 ' CD1' HG11 ' A' ' 59' ' ' VAL . 41.3 p90 -103.48 31.32 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -174.67 166.58 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.69 86.74 2.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.24 -137.14 2.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -123.14 136.8 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.416 ' CD1' HG23 ' A' ' 36' ' ' THR . 88.5 m95 -146.68 168.83 20.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mt -138.74 104.81 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.59 89.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 64.2 mt -76.89 175.58 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 0.0 110.937 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -157.11 113.98 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 mt -88.24 175.26 7.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -92.72 -33.02 14.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.17 175.89 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.19 94.03 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.022 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -146.1 37.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.08 -170.98 12.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -129.22 31.21 4.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -136.22 153.92 51.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -112.92 30.06 7.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' A' ' 65' ' ' PHE . . . 91.57 -47.32 2.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.577 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.77 127.14 55.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.419 HG11 ' CD1' ' A' ' 38' ' ' PHE . 21.3 t -109.66 111.98 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.46 -122.32 12.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.78 29.98 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -158.58 175.32 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -148.51 144.8 27.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.402 ' CD1' HD13 ' A' ' 74' ' ' LEU . 42.4 m-85 -111.32 -18.89 12.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.411 ' CD1' ' HA2' ' A' ' 57' ' ' GLY . 16.4 p90 -159.35 156.25 28.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.97 102.27 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 p -144.64 -175.2 4.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.998 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.407 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -80.71 169.22 20.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.15 118.73 5.32 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.55 2.166 . . . . 0.0 112.275 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 62.01 52.58 3.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.055 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.407 ' CD2' ' HB2' ' A' ' 68' ' ' LYS . 3.7 m-85 -114.3 -36.26 4.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.781 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.79 175.05 16.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.52 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.8 m -146.6 163.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.312 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 64' ' ' TYR . 1.6 mt -114.75 116.23 28.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.2 m -134.86 169.49 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 79' ' ' ARG . 16.9 mtm105 -103.08 153.67 38.16 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.037 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.43 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 81.3 Cg_exo -44.93 -54.98 3.7 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.518 2.145 . . . . 0.0 111.325 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.75 -23.36 28.92 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.844 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 76' ' ' ARG . 2.3 mmp_? -89.85 -10.3 45.84 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.61 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 5.5 m -124.54 125.27 69.89 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 CA-C-O 120.922 0.391 . . . . 0.0 111.303 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.863 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.03 112.1 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.5 31.99 20.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.18 77.92 1.21 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m -126.55 -62.05 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -131.67 113.29 13.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.71 15.99 7.74 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.697 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 56.11 176.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.798 0.332 . . . . 0.0 111.082 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.51 99.81 0.2 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -99.0 35.08 1.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 0.0 110.967 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -89.64 97.61 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -119.05 74.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.4 mt -145.2 120.52 10.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -126.21 -54.13 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -179.35 159.91 0.96 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.93 28.32 68.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.624 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 m -104.78 166.32 10.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.358 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -123.78 128.57 49.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.6 m -134.69 145.51 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.0 tp -110.16 131.97 54.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.33 140.94 58.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -98.76 33.29 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.49 -47.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -94.8 -19.18 20.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.0 m120 63.01 55.81 1.91 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.02 0.438 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -141.8 124.12 15.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.7 mtp -60.0 154.07 19.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.32 138.28 17.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.7 m -87.41 132.38 34.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.91 120.4 32.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.174 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -107.7 -50.27 3.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 33' ' ' VAL . 48.9 t80 -115.53 157.11 24.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.44 ' N ' ' CD1' ' A' ' 32' ' ' TYR . 21.5 t -150.91 125.86 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.81 -176.0 21.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.12 154.72 66.03 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.501 2.134 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.413 HG21 ' CD1' ' A' ' 43' ' ' TRP . 65.5 p -108.14 172.46 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.02 -30.99 11.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.414 ' CD2' ' HB1' ' A' ' 39' ' ' ALA . 55.5 p90 -75.18 -31.2 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.414 ' HB1' ' CD2' ' A' ' 38' ' ' PHE . . . -123.78 170.71 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.2 p -108.71 90.8 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.3 175.16 28.91 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.3 mm -81.45 145.68 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.364 . . . . 0.0 111.069 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.413 ' CD1' HG21 ' A' ' 36' ' ' THR . 85.4 m95 -142.34 175.09 10.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.5 mt -139.21 107.5 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.91 97.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.521 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.9 mt -91.56 157.73 16.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -144.61 116.4 8.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.3 mt -93.81 166.69 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -98.36 35.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.0 t -175.9 174.38 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.37 86.13 7.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -143.65 35.96 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.81 -158.89 8.13 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.551 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -142.02 30.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -134.0 155.04 50.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -110.43 33.02 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.404 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 97.73 -44.5 1.83 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -136.72 156.31 48.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.43 114.37 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.18 -130.78 10.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -106.87 30.05 6.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.02 129.56 27.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.73 129.97 44.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -113.02 -31.31 6.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.404 ' CD2' ' HA2' ' A' ' 57' ' ' GLY . 15.2 p90 -171.22 179.8 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.8 t -133.83 119.02 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.1 p -161.5 173.45 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.443 ' CB ' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -61.35 167.47 4.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.94 124.51 15.87 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.668 2.245 . . . . 0.0 112.258 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.7 m120 61.78 51.28 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.067 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.443 ' CE1' ' CB ' ' A' ' 68' ' ' LYS . 3.4 m-85 -112.38 -50.22 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.38 171.67 31.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.449 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.6 m -143.11 163.02 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.76 0.314 . . . . 0.0 111.196 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.3 mt -118.48 119.78 35.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.406 ' CG2' ' CG1' ' A' ' 80' ' ' VAL . 3.1 m -139.16 166.15 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -98.96 152.41 37.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.416 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 84.1 Cg_exo -45.87 -56.87 2.52 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.476 2.117 . . . . 0.0 111.277 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.53 -23.46 40.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.719 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -87.08 -11.77 49.2 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 179.015 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.416 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 27.4 m -121.73 170.28 12.04 Favored 'Isoleucine or valine' 0 C--O 1.23 0.078 0 CA-C-O 120.874 0.369 . . . . 0.0 111.24 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.07 167.24 23.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.961 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -171.18 142.45 1.77 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -65.57 177.01 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -163.0 -42.9 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.8 pt -57.32 166.28 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 p -105.75 -66.0 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.74 177.03 41.14 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.543 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.08 126.67 20.93 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.575 2.183 . . . . 0.0 112.319 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.9 p -69.95 -31.89 69.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 69.7 m -72.66 148.04 45.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.814 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.387 -1.23 . . . . 0.0 112.493 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 m 60.44 32.81 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.91 -47.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.88 110.03 1.17 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 t -89.79 99.39 12.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -173.32 132.85 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.01 -75.44 1.0 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.555 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -124.72 158.26 33.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.758 0.313 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.01 -56.68 0.41 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.31 130.81 50.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.1 t -127.81 133.08 68.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.04 128.25 35.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mp 60.02 -178.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -174.6 165.73 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.73 99.41 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.66 48.05 0.17 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.564 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 m -133.39 163.79 28.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 110.781 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -117.96 114.48 23.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 m -114.79 169.5 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.1 tp -138.55 149.25 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.84 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.1 mt -94.9 125.2 39.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t -68.87 -32.53 72.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.63 48.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.806 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.29 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.1 m120 62.56 49.58 3.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -131.71 106.62 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.2 mtp -59.97 148.32 35.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -152.81 149.84 28.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.084 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.7 m -88.76 143.23 27.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.08 129.15 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.097 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -109.43 -41.81 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -130.47 150.58 51.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.21 108.21 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.92 -177.59 37.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.423 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.1 -178.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.582 2.188 . . . . 0.0 112.411 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.9 p -132.94 162.97 30.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -81.28 -36.13 30.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.417 ' CD1' HG12 ' A' ' 59' ' ' VAL . 55.5 p90 -85.18 -44.95 12.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.27 178.35 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.2 t -137.46 96.56 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 172.39 -137.57 4.31 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.4 mt -117.94 105.84 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.342 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -126.19 159.72 32.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mt -127.48 124.65 38.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.78 85.65 0.65 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.527 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.6 mt -72.57 166.5 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -146.02 100.96 3.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 mt -82.31 161.11 22.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.68 -31.01 15.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.3 t -91.45 167.23 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.77 80.22 4.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -151.01 33.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.822 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.08 -166.88 22.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -131.01 30.96 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -156.54 154.36 30.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.35 -32.86 10.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 159.52 -28.81 0.38 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.44 146.9 51.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 111.069 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.417 HG12 ' CD1' ' A' ' 38' ' ' PHE . 21.4 t -139.16 127.06 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.38 -130.95 26.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.79 30.0 6.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.46 155.91 41.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.48 160.87 15.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -132.2 -46.71 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -152.98 171.33 18.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.78 103.32 9.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.89 -174.4 4.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 166.01 38.01 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.5 127.76 26.71 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.617 2.211 . . . . 0.0 112.274 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m120 61.61 60.56 1.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.029 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -130.74 -57.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -85.52 161.53 35.43 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.7 m -135.73 155.13 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.048 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.95 116.58 29.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.5 m -133.43 175.46 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 79' ' ' ARG . 5.5 mtt180 -109.29 151.87 42.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -45.51 -51.38 8.09 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.488 2.125 . . . . 0.0 111.304 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.3 m -55.49 -22.79 22.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.807 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 76' ' ' ARG . 5.3 mmt180 -95.41 -6.88 39.89 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.941 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.5 m -133.69 126.16 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-O 120.963 0.411 . . . . 0.0 111.651 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 46.7 m -120.8 130.37 53.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -118.34 162.0 19.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.037 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -121.25 -47.03 2.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.72 126.57 5.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.565 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 pt -81.78 -29.53 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.791 0.329 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.4 t -155.35 31.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -105.59 -141.27 10.53 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.437 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.06 155.28 70.16 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.438 2.092 . . . . 0.0 112.261 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.3 p -62.06 -58.02 9.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.33 -46.7 2.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.437 -1.202 . . . . 0.0 112.489 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -144.35 128.08 17.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.95 92.36 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.61 73.87 0.17 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m -99.23 36.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -63.07 -171.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.84 -43.19 1.24 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -110.4 148.2 32.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.44 -71.78 0.22 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.86 -175.6 2.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.354 . . . . 0.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.8 t 58.83 84.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -101.04 176.3 5.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.6 mt -79.64 109.93 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.983 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -121.43 -57.68 1.82 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.08 133.34 6.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.819 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.76 53.25 28.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.44 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.6 m -119.7 149.59 41.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -96.04 115.12 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.8 m -129.33 152.0 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.7 tp -111.89 147.36 35.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.9 mt -91.46 135.72 33.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.797 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 t -79.43 -25.97 41.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.6 p -93.89 -47.47 6.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.099 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -79.1 -29.64 43.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.051 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.8 t30 63.57 42.43 6.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -142.14 133.37 26.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.8 mtp -66.18 158.46 28.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -159.12 165.58 33.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.6 m -102.81 132.54 48.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 t -81.69 127.17 39.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.135 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -112.87 -48.34 3.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -116.8 143.63 45.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -147.61 111.36 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.61 -158.62 30.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.534 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.9 158.51 56.52 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.575 2.183 . . . . 0.0 112.344 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.408 HG22 ' CD1' ' A' ' 43' ' ' TRP . 80.4 p -117.62 177.65 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -110.86 -32.97 6.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.416 ' CD1' ' HB1' ' A' ' 39' ' ' ALA . 40.9 p90 -79.22 -31.83 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 38' ' ' PHE . . . -123.21 -176.52 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 p -130.27 89.83 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.45 -160.85 33.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.399 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.2 mt -101.46 121.93 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.408 ' CD1' HG22 ' A' ' 36' ' ' THR . 56.8 m95 -130.61 177.56 7.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 mt -140.89 135.75 31.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.37 85.56 1.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 78.8 mt -72.91 164.66 26.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.012 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.31 123.54 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mt -108.98 158.06 18.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -99.02 31.08 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.25 149.68 26.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.67 86.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -156.25 30.31 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.69 -158.54 16.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.545 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -144.9 31.9 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.825 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -164.82 164.99 20.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -98.82 -30.97 12.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.795 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.419 ' HA2' ' CE1' ' A' ' 65' ' ' PHE . . . 162.91 -29.07 0.25 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.596 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.58 155.75 37.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.37 100.34 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 -126.69 8.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -110.05 30.09 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.72 0.295 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -146.59 159.31 43.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.47 158.54 17.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -135.97 -58.2 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CE1' ' HA2' ' A' ' 57' ' ' GLY . 19.0 p90 -140.83 179.91 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.04 101.99 4.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.9 p -145.33 -177.18 5.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.412 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 32.7 mtmt -74.12 167.93 31.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.31 122.77 12.09 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.498 2.132 . . . . 0.0 112.27 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 61.04 63.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.412 ' CZ ' ' HE3' ' A' ' 68' ' ' LYS . 4.0 m-85 -129.23 -45.43 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.37 152.78 17.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.9 m -128.96 175.16 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.4 mt -125.38 128.22 47.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.0 m -144.84 170.26 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' ARG . 23.2 mtm180 -107.78 154.4 40.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.431 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 80.4 Cg_exo -44.67 -55.52 3.25 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.577 2.185 . . . . 0.0 111.506 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -55.85 -23.44 30.8 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.688 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 76' ' ' ARG . 4.8 mmm180 -87.6 -12.31 46.03 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.548 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 11.4 m -122.65 125.14 72.1 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.04 0 CA-C-O 120.965 0.412 . . . . 0.0 111.291 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 m -88.89 122.85 32.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -132.01 78.05 1.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -100.45 138.88 36.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -114.3 -132.01 5.32 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.432 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.471 HD13 HG21 ' A' ' 85' ' ' ILE . 25.4 mm 68.69 -67.59 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 111.201 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m 61.93 152.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.95 75.88 0.14 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.46 140.18 39.44 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.657 2.238 . . . . 0.0 112.273 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.3 p -130.07 137.58 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 m 60.42 81.0 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.456 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.48 156.78 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 p -152.77 137.84 17.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.6 -71.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.29 169.71 8.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.302 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -102.67 86.25 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.6 28.76 72.99 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.0 148.93 26.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.68 -43.05 0.59 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.569 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 64.0 132.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.66 -67.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 59.81 175.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.9 mt -65.07 145.44 56.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -105.64 178.72 4.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.3 119.82 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.92 28.63 11.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -92.15 167.75 11.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -115.48 117.18 29.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.2 m -123.06 176.69 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.0 tp -133.57 143.55 48.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.5 mt -86.61 147.46 25.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.6 p -100.04 31.17 3.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.07 -47.43 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.7 m -95.41 -20.45 19.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.057 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 67.48 38.94 3.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.862 0.363 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -130.71 135.47 47.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.3 mtt -81.72 153.86 26.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.29 157.83 43.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.7 m -88.59 143.3 27.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.7 t -85.15 134.49 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.089 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -117.87 -44.45 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -124.29 144.6 49.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -145.46 106.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.76 -177.87 33.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.555 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.28 158.68 5.07 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.566 2.177 . . . . 0.0 112.384 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.41 HG22 ' CD1' ' A' ' 43' ' ' TRP . 1.4 p -107.7 176.79 5.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.82 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -110.82 -31.29 7.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -89.44 -44.03 10.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.77 -34.46 11.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.187 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.8 t 60.79 74.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.87 -115.54 0.38 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.453 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.1 mt -143.89 104.3 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.354 . . . . 0.0 111.201 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.41 ' CD1' HG22 ' A' ' 36' ' ' THR . 11.1 m95 -137.67 170.99 15.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 mt -137.45 118.8 14.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.66 89.17 0.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.525 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.8 mt -80.56 166.47 21.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.794 0.331 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -143.59 144.83 32.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.4 mt -113.54 173.47 6.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -94.08 -31.47 14.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.2 m -115.73 -179.62 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.96 103.03 13.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -164.19 30.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.19 -167.76 21.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.536 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -119.43 -42.32 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -89.72 170.19 10.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -96.58 -29.07 14.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 157.11 -25.91 0.49 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.566 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.5 173.09 11.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 111.101 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -136.14 100.04 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.995 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.73 -107.01 2.6 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.424 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -110.11 -24.29 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.715 0.293 . . . . 0.0 111.16 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.28 162.23 23.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.902 0.382 . . . . 0.0 111.061 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.6 150.66 48.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.749 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -129.18 -52.75 1.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.414 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 5.7 p90 -141.53 174.38 10.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -129.38 127.37 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.4 p -174.61 178.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 166.45 43.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.54 125.03 17.63 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.594 2.196 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 61.45 64.34 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -128.59 -48.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.05 174.89 29.28 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.9 m -149.94 147.93 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 111.127 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.7 mt -104.25 117.4 34.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.401 ' CG2' ' CG1' ' A' ' 80' ' ' VAL . 5.4 m -129.57 179.54 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 79' ' ' ARG . 6.0 mtt180 -107.07 154.12 40.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.424 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 79.9 Cg_exo -44.87 -55.87 3.06 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.554 2.169 . . . . 0.0 111.449 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -55.72 -23.25 27.96 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.847 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 76' ' ' ARG . 2.0 mmp_? -88.84 -11.15 45.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.74 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.424 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 5.6 m -125.02 125.39 69.44 Favored 'Isoleucine or valine' 0 C--O 1.23 0.053 0 CA-C-O 120.929 0.395 . . . . 0.0 111.353 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.1 p -114.64 156.52 24.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -160.52 162.29 32.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.65 119.77 36.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.09 42.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.5 mt -120.06 -40.94 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 111.123 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.14 161.08 0.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.09 127.47 9.26 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.442 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.8 132.49 18.64 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.398 2.065 . . . . 0.0 112.355 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.7 t -89.89 123.13 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.78 98.79 2.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.44 -1.2 . . . . 0.0 112.511 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 60.36 32.17 20.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.864 0.364 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.5 p -98.22 35.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.4 113.38 1.35 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.578 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -154.19 58.78 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.877 0.37 . . . . 0.0 110.778 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -160.09 -45.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.28 59.91 0.55 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.69 137.76 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.99 -119.68 2.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.5 p -121.14 161.09 22.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.978 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -143.15 -46.76 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -99.19 149.45 23.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.09 144.75 54.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.14 48.59 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 60.78 158.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.0 46.92 78.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.86 170.92 14.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -122.95 107.06 11.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.9 m -105.31 176.36 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.8 tp -138.95 148.03 43.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 mt -90.96 128.83 36.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.9 p -88.56 56.93 3.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.91 -56.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.1 m -94.04 -22.3 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.78 75.45 0.32 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.853 0.358 . . . . 0.0 110.831 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -150.21 113.4 4.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.4 mmm -73.52 142.59 46.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.0 162.15 38.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.5 m -95.57 140.45 30.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -84.4 118.21 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.035 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -110.95 -32.05 6.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.038 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -134.39 145.34 48.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.4 t -148.58 107.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.051 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.54 -170.49 35.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.02 -178.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.589 2.193 . . . . 0.0 112.318 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.29 -176.39 4.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.794 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -108.47 -36.45 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -89.11 -32.01 17.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.8 -169.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.94 117.04 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.68 -149.59 21.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.523 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.0 mt -107.31 99.96 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.759 0.314 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -111.44 166.12 11.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.757 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mt -134.89 123.21 23.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.95 80.5 1.82 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 46.7 mt -67.89 167.32 13.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -150.36 102.39 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.32 170.1 16.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -106.42 31.29 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.403 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 2.8 p -163.16 176.67 9.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.69 81.92 3.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.009 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.41 35.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -132.35 -166.9 11.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -130.77 31.52 4.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -139.96 145.05 37.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -95.53 -31.2 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.95 -27.82 0.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.552 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.58 146.11 51.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.09 106.82 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.173 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 -130.35 10.19 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.92 30.03 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -148.44 161.11 42.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.32 162.29 18.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -137.2 -47.06 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.413 ' CE1' ' HA3' ' A' ' 72' ' ' GLY . 17.1 p90 -146.82 161.3 40.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 t -115.56 102.28 9.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.65 -172.55 3.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -81.85 170.17 16.04 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -60.65 125.03 16.26 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.631 2.221 . . . . 0.0 112.28 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 61.75 52.14 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.039 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 50' ' ' SER . 4.3 m-85 -120.97 -42.32 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.413 ' HA3' ' CE1' ' A' ' 65' ' ' PHE . . . -92.25 172.5 34.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.518 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.9 m -149.45 143.61 18.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.823 0.344 . . . . 0.0 111.222 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 mt -99.98 121.27 41.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.5 m -141.91 158.93 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 20.1 mtt180 -98.72 149.59 35.89 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.04 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 89.0 Cg_exo -46.37 -55.87 3.39 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.444 2.096 . . . . 0.0 111.12 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.79 -23.72 45.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.735 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -87.42 -11.54 48.85 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.404 179.005 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.413 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 30.1 m -124.81 -179.98 2.67 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 CA-C-O 120.903 0.382 . . . . 0.0 111.143 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -156.79 177.11 11.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -176.88 -36.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -161.51 157.85 25.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.609 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.62 -57.22 0.43 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.48 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.4 pt -117.1 113.65 43.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 111.041 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 t 61.91 115.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.07 148.85 17.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.555 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.24 162.47 2.97 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.489 2.126 . . . . 0.0 112.376 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.3 p -160.52 99.15 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.4 m -153.1 165.04 36.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.522 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -86.51 -171.47 3.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 m 60.62 80.43 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.75 167.18 4.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.542 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.38 32.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -135.74 -56.33 0.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.57 -120.48 1.01 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -109.86 34.63 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.317 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.47 61.2 1.25 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.482 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.0 t -158.97 162.42 36.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -69.38 134.53 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -62.48 156.73 22.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.1 mt -85.57 167.02 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.413 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 22.2 p-80 -140.95 -172.94 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -85.17 131.68 34.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.02 42.63 7.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.413 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -117.82 179.47 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.891 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -124.67 151.64 44.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.4 m -155.92 178.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.6 tp -135.28 132.81 38.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.3 mt -73.67 145.31 45.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -98.88 31.24 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.1 m -147.38 -47.53 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.71 -21.78 23.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.014 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.45 35.47 5.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.935 0.398 . . . . 0.0 110.795 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -128.11 136.54 51.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 59.8 mtp -71.46 157.34 38.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.7 168.99 23.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.7 m -111.65 140.69 46.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.93 123.89 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -116.75 -40.39 3.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -125.69 151.06 47.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.987 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.48 100.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.46 -163.62 37.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.542 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 -169.92 0.36 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.624 2.216 . . . . 0.0 112.235 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.416 ' HB ' ' CE2' ' A' ' 38' ' ' PHE . 6.0 p -141.51 -179.88 6.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -109.55 31.4 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 39' ' ' ALA . 52.7 p90 -151.5 -46.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.987 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.452 ' N ' ' CD1' ' A' ' 38' ' ' PHE . . . -101.46 174.33 6.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.7 p -118.93 119.81 35.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.5 -149.55 19.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.448 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.8 mt -103.15 156.83 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -155.71 167.37 30.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mt -139.0 107.83 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.97 78.37 0.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.548 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.5 mt -66.39 165.7 13.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.25 105.8 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mt -74.69 167.9 20.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.9 -31.48 20.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.95 -169.15 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.1 93.74 7.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -148.39 37.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -130.43 -165.87 11.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.522 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -138.53 31.3 2.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.866 0.365 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -142.64 157.17 44.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -114.6 33.06 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.7 -28.49 14.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -136.62 143.21 43.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 111.132 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -121.04 109.23 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.69 -128.14 8.3 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -104.44 30.03 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.48 155.43 43.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.16 172.52 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -154.41 -47.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.412 ' CE2' ' HA3' ' A' ' 72' ' ' GLY . 12.3 p90 -149.58 -178.49 6.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -126.68 126.68 43.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.3 p -164.75 -174.89 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -88.8 172.04 8.18 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -51.76 116.14 2.56 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.619 2.212 . . . . 0.0 112.283 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 60.82 61.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -119.91 -44.1 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.412 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -96.58 169.68 26.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.5 m -140.83 155.55 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.1 mt -106.23 123.06 47.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.2 m -151.3 172.09 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.043 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' ARG . 36.0 mtm105 -109.96 158.17 35.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -45.72 -52.55 6.7 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.625 2.217 . . . . 0.0 111.352 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -55.56 -22.72 23.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.812 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -93.74 -8.75 39.81 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.903 179.324 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.4 m -132.81 124.46 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 CA-C-O 120.979 0.419 . . . . 0.0 111.46 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.48 151.01 50.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -121.31 -42.47 2.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.28 -173.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -138.47 34.65 2.09 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.567 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 pt -97.77 139.5 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 111.108 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.05 88.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.55 86.67 0.68 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.513 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.5 -29.6 40.86 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.565 2.177 . . . . 0.0 112.331 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.44 94.08 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 m -171.04 35.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.492 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.1 -46.38 10.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.08 124.07 38.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.11 147.62 2.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.429 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t 62.57 119.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.353 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.8 37.45 2.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.35 61.4 0.73 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -145.26 162.33 37.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.338 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 129.9 -105.63 0.68 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.581 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.4 p -125.59 148.98 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.43 -47.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.51 36.01 3.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.4 mt 60.08 103.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -99.74 -176.53 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -75.59 107.75 7.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.99 44.18 0.64 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.557 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.5 m -122.55 172.45 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -121.35 125.75 47.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 m -138.09 149.95 24.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.122 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 tp -113.7 146.92 39.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.9 mt -93.21 119.0 31.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.1 p -61.44 -30.54 70.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.52 -65.99 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -28.8 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.2 t30 63.49 39.17 9.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -139.23 138.73 37.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 34.0 mtp -68.32 157.21 36.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.64 148.92 23.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -96.33 136.34 36.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.96 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.51 123.31 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.125 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -110.79 -48.29 3.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -120.07 138.36 53.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.59 113.18 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.12 -179.37 34.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.13 157.44 6.31 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.671 2.247 . . . . 0.0 112.288 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.2 p -119.42 -177.67 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -107.72 -50.7 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.1 p90 -70.61 -42.03 71.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -97.34 -179.15 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.07 113.59 12.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.06 -135.97 8.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.1 mt -120.53 124.57 72.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 111.162 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.415 ' CZ2' ' HB1' ' A' ' 39' ' ' ALA . 48.0 m95 -127.91 170.12 13.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.3 mt -133.27 122.65 24.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.03 74.87 1.96 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.82 156.94 34.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.805 0.336 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -138.63 99.92 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.8 mt -74.37 174.06 9.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -98.37 -27.8 13.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -103.65 174.7 5.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.406 ' CB ' ' CE1' ' A' ' 71' ' ' TYR . . . -93.05 73.92 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mmtm -133.87 33.75 3.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.69 -164.32 18.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.401 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.37 31.92 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -147.66 169.43 19.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -119.41 32.24 6.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.405 ' HA2' ' CE1' ' A' ' 65' ' ' PHE . . . 100.61 -33.18 6.58 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.537 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.08 158.69 43.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.26 117.01 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.12 -132.43 11.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.492 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.22 30.08 6.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 110.994 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -139.41 154.91 47.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.41 139.01 49.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -120.34 -42.66 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.405 ' CE1' ' HA2' ' A' ' 57' ' ' GLY . 18.2 p90 -155.4 176.48 12.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.96 111.99 13.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.1 p -148.75 -176.41 5.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -76.37 164.34 60.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.82 122.74 11.54 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.572 2.181 . . . . 0.0 112.301 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 59.38 65.09 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.406 ' CE1' ' CB ' ' A' ' 51' ' ' ALA . 3.5 m-85 -127.73 -53.7 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.36 164.9 36.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.0 m -146.73 123.09 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.86 114.87 22.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.5 m -131.28 168.58 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -98.78 154.18 37.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.416 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 82.3 Cg_exo -45.59 -53.44 5.56 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.456 2.104 . . . . 0.0 111.352 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -56.19 -23.58 36.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.815 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' ARG . 1.2 mmp_? -89.11 -9.63 50.34 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.63 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.416 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 34.8 m -125.09 174.11 9.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 CA-C-O 120.86 0.362 . . . . 0.0 111.271 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.2 165.05 36.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -172.45 162.24 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.13 151.13 46.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -162.11 -139.68 2.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.3 tp -68.14 109.9 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 0.0 111.046 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 p -153.28 105.47 2.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.56 160.34 32.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.517 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -69.51 154.42 68.74 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.527 2.151 . . . . 0.0 112.262 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.6 p -60.03 87.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.5 m -110.72 169.92 8.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.421 -1.211 . . . . 0.0 112.488 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -80.85 140.48 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 p -110.09 -34.06 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.784 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.2 -94.61 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 p -67.11 133.4 49.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -148.15 138.22 22.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.45 133.97 10.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.563 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.44 125.54 16.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.33 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.51 72.73 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.452 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m -125.23 97.61 5.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.7 p -140.14 155.04 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -68.36 162.62 24.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 mt -91.34 147.58 22.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.8 160.79 37.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -59.96 137.3 58.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.99 -28.13 17.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.56 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 m -65.72 173.01 3.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -116.69 165.04 13.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.2 m -157.63 176.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.239 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.8 tp -143.33 135.26 26.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.49 145.6 30.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.62 30.64 3.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -134.45 -47.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -99.0 -19.44 17.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t30 67.3 38.93 3.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -124.74 133.94 52.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.4 mmm -65.9 152.87 43.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.74 146.15 27.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.3 m -95.93 140.93 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.045 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -87.47 117.47 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.152 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -104.91 -31.06 9.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -139.93 154.21 47.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.0 t -148.55 100.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.09 174.15 46.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.11 142.75 47.17 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.532 2.154 . . . . 0.0 112.259 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.5 p -93.95 -178.63 4.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -108.03 -33.07 7.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 39' ' ' ALA . 53.4 p90 -79.22 -41.52 28.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' N ' ' CD1' ' A' ' 38' ' ' PHE . . . -95.04 -175.26 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.7 m -131.91 104.73 7.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.31 -137.17 7.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.512 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.3 mt -127.02 133.83 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -134.16 159.34 41.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 mt -116.65 109.11 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.59 85.85 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.516 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.3 mt -72.52 166.64 22.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -148.03 111.88 5.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mt -93.98 156.1 16.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.55 32.53 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.4 t -160.84 151.14 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.15 75.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -136.26 34.35 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.42 -148.64 5.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.53 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -145.83 -47.39 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -60.22 152.57 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -111.3 33.1 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.418 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 99.65 -38.29 3.17 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -130.29 146.05 51.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 111.047 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.0 t -127.85 139.92 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.7 -129.46 48.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -110.02 30.07 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -137.93 176.32 8.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.4 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -130.14 161.53 30.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 63' ' ' ARG . 42.7 m-85 -145.99 -49.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.418 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 13.7 p90 -145.93 -178.08 5.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.31 116.89 11.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.9 p -156.74 175.69 13.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -60.93 161.43 15.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -56.77 123.27 13.46 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.624 2.216 . . . . 0.0 112.276 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 61.7 61.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -133.65 -46.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.416 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -90.84 159.76 26.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.9 m -139.2 176.37 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.174 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mp -144.21 129.24 18.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 m -141.69 179.63 2.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.087 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' ARG . 73.0 mtp85 -98.84 153.27 37.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.072 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.438 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 82.6 Cg_exo -45.79 -56.26 2.97 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.489 2.126 . . . . 0.0 111.35 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 p -55.87 -23.8 33.23 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.612 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -85.07 -13.26 50.93 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.566 179.043 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 16.6 m -119.24 134.47 62.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 CA-C-O 120.875 0.369 . . . . 0.0 111.368 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 69.9 p -120.25 134.55 55.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -143.92 -46.9 0.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -129.29 -42.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -51.98 159.58 2.62 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.709 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.1 mm -93.06 143.82 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.01 74.71 0.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.76 103.55 1.7 Allowed Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.429 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.19 -27.12 49.04 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.458 2.106 . . . . 0.0 112.32 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.0 p -90.12 -179.74 5.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 m -97.65 117.69 32.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.509 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -155.1 128.86 8.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -102.48 123.41 46.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.999 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.7 -46.57 2.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.412 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.99 111.91 23.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.0 104.62 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.23 -56.74 0.54 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.507 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 60.67 100.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.58 -125.62 1.0 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.01 168.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.2 t -150.12 148.61 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -104.9 31.76 4.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' CD2' ' CD2' ' A' ' 82' ' ' TYR . 6.0 mt -136.04 179.52 6.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.08 170.82 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.86 126.24 30.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.987 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.49 34.08 6.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.4 m -104.6 177.82 4.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -127.66 118.04 23.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.31 156.23 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.3 tp -116.99 150.43 38.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.7 mt -92.94 128.48 38.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.9 p -88.28 58.1 4.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -164.51 -57.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 m -97.71 -14.6 20.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.245 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m120 65.17 77.18 0.31 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -155.03 133.74 12.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.801 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.1 mtt -80.44 150.46 29.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.97 148.01 27.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.2 m -92.16 139.08 30.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.032 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.0 128.18 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.146 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -107.29 -39.17 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -133.0 150.37 52.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -144.52 116.13 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.97 171.84 26.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.17 166.46 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.582 2.188 . . . . 0.0 112.307 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.419 HG21 ' CE1' ' A' ' 64' ' ' TYR . 48.4 p -123.66 175.96 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -103.43 -40.73 6.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.405 ' CD2' ' HB1' ' A' ' 39' ' ' ALA . 50.3 p90 -69.46 -44.19 71.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HB1' ' CD2' ' A' ' 38' ' ' PHE . . . -119.83 174.12 6.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.13 174.69 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.03 -139.52 15.78 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.6 mp -135.6 126.57 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.06 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.417 ' CD1' HG22 ' A' ' 36' ' ' THR . 48.0 m95 -122.08 172.5 8.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.3 mt -133.63 129.81 37.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.73 77.26 2.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.2 mt -66.52 159.9 26.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.333 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -142.88 120.21 11.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.3 mt -100.46 169.08 9.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -107.92 31.58 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.444 ' CA ' ' CE2' ' A' ' 71' ' ' TYR . 73.3 p -162.23 158.06 23.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.415 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . . . -82.77 74.46 9.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -142.03 31.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.76 -135.22 6.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.555 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.0 -50.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -80.95 171.05 15.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -107.71 -32.1 7.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.423 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 164.83 -29.94 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.9 160.4 39.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.807 0.337 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.63 117.63 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.21 -126.67 8.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.436 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.74 29.99 5.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.24 148.38 18.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.09 150.9 38.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.422 ' CD2' HD13 ' A' ' 74' ' ' LEU . 66.1 m-85 -114.11 -19.71 11.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.229 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 8.8 p90 -160.39 174.38 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.946 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.33 112.35 12.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.12 -174.8 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -70.55 167.32 27.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.47 127.45 17.33 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.448 2.099 . . . . 0.0 112.23 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 64.22 45.23 4.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.444 ' CE2' ' CA ' ' A' ' 50' ' ' SER . 4.0 m-85 -116.5 -45.23 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.68 176.8 30.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.6 m -150.75 169.72 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.184 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.422 HD13 ' CD2' ' A' ' 64' ' ' TYR . 8.1 mt -122.9 113.75 19.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.7 m -136.01 162.46 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -99.55 152.54 37.84 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.42 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 80.9 Cg_exo -45.19 -58.1 1.77 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.436 2.091 . . . . 0.0 111.355 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.27 -23.52 36.92 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.689 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.4 OUTLIER -85.26 -13.78 48.73 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.414 178.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.42 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 21.8 m -120.26 169.36 11.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.065 0 CA-C-O 120.814 0.34 . . . . 0.0 111.176 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.15 123.58 46.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.45 ' CD2' ' CD2' ' A' ' 13' ' ' LEU . 57.7 t80 -167.98 162.92 13.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -79.83 -169.3 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.52 -61.93 0.38 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.3 pt -103.5 77.82 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.7 m -123.54 108.42 12.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.31 -129.1 0.18 Allowed Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.406 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.72 167.6 20.73 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.491 2.128 . . . . 0.0 112.261 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.5 t -98.59 33.33 2.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 m -108.95 125.52 52.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.465 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -162.55 120.39 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.58 125.99 35.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.22 -63.25 0.48 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.68 139.99 52.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.325 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -121.06 31.39 6.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.28 -145.35 16.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.449 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -161.13 98.53 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.92 49.05 1.82 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.65 158.25 34.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.83 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.95 83.6 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -134.36 167.34 20.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 mt -78.19 172.67 13.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -165.56 36.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 61.29 113.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.75 52.4 0.54 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.96 162.84 40.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -95.89 135.7 37.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.3 m -142.24 137.15 29.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.2 tp -96.87 156.45 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.2 mt -100.32 144.55 29.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.3 p -99.27 31.25 3.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.3 m -143.47 -47.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.42 -22.54 17.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.057 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.45 44.99 2.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.816 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -136.21 122.24 20.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.57 155.05 36.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.39 157.87 39.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 m -97.64 137.29 36.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -79.14 122.63 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.07 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -110.73 -31.31 7.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.984 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -141.03 136.09 31.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.976 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.6 t -132.51 128.16 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.23 -167.18 29.01 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.495 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.4 167.64 24.68 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.565 2.177 . . . . 0.0 112.273 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.0 p -130.17 155.22 46.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -80.14 -41.72 24.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.0 p90 -70.17 -40.43 74.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.403 ' HB3' ' CZ2' ' A' ' 43' ' ' TRP . . . -111.9 -175.86 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.143 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.3 p -128.22 146.82 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.01 -129.67 9.92 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mt -126.83 143.35 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.848 0.356 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.403 ' CZ2' ' HB3' ' A' ' 39' ' ' ALA . 67.3 m95 -144.14 170.84 15.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 mt -135.03 116.82 15.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.43 75.56 1.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.61 156.37 36.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -138.86 107.11 5.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.0 mt -78.3 179.72 6.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.51 -31.57 11.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.4 m -111.11 -179.44 3.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.15 103.47 15.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.56 30.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -118.88 -132.01 4.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -154.28 -46.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -68.58 175.8 3.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -134.38 30.8 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.419 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 101.23 -54.7 0.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.489 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.61 149.17 28.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.754 0.312 . . . . 0.0 111.103 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.92 99.96 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.17 -121.19 5.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -109.26 30.05 6.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -140.94 175.65 9.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -135.02 166.09 23.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -150.95 -46.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.706 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.42 ' CE2' ' HA3' ' A' ' 72' ' ' GLY . 43.8 p90 -153.48 171.06 19.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 47.0 m -144.91 118.77 9.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 50.0 t -146.61 -70.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 71' ' ' TYR . 1.2 mtmm -174.26 169.76 1.8 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.13 119.82 7.3 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.65 2.233 . . . . 0.0 112.315 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 59.53 49.28 8.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.105 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.435 ' CD1' ' HB3' ' A' ' 68' ' ' LYS . 2.6 m-85 -114.1 -32.36 6.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.42 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -111.18 -173.78 19.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.416 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 m -156.65 162.65 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.73 107.08 12.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.01 162.71 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 14.1 mtt-85 -93.83 154.67 40.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.181 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.436 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 83.2 Cg_exo -46.13 -57.72 2.06 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.485 2.123 . . . . 0.0 111.266 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 p -56.34 -23.24 36.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.688 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 76' ' ' ARG . 11.9 mmt-85 -85.84 -12.55 50.51 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.454 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.436 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 15.6 m -119.95 130.91 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.064 0 CA-C-O 120.959 0.409 . . . . 0.0 111.268 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.3 p -80.98 133.53 35.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -168.56 130.28 1.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.1 150.22 26.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -140.04 141.44 11.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.6 mm -99.74 95.76 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 111.075 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.19 139.98 48.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.16 167.62 13.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.458 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.97 -45.63 1.41 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.558 2.172 . . . . 0.0 112.306 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.4 t -100.72 118.95 37.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -122.17 101.55 7.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.458 -1.19 . . . . 0.0 112.473 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 p -165.01 131.33 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -37.68 16.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.62 -127.53 1.01 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.542 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -106.27 -26.74 11.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.76 83.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.28 178.9 46.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -109.78 124.78 51.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.15 36.56 3.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.2 t -130.73 35.14 4.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.887 0.375 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 p -158.05 -43.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.104 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -82.1 140.34 33.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mt -91.56 172.38 8.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.754 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -145.37 -178.16 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -77.46 145.73 36.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.24 37.45 59.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.3 m -111.64 167.52 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -113.22 129.55 56.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.3 m -141.21 171.17 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.9 tp -134.93 145.61 48.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 mt -90.66 122.34 33.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.7 p -66.03 -29.81 70.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.4 t -88.56 -65.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -59.35 -28.39 66.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t30 63.35 35.12 12.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -131.13 141.21 50.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.8 mmm -68.01 138.78 56.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.62 144.26 41.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.7 m -95.83 141.11 29.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -84.45 123.24 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.085 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -110.66 -31.01 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -147.08 153.03 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.0 t -147.67 109.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 175.04 -157.3 24.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.16 -170.69 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.567 2.178 . . . . 0.0 112.304 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.421 HG21 ' CZ ' ' A' ' 64' ' ' TYR . 1.1 p -146.49 152.67 39.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.96 40.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.411 ' CE2' ' HB1' ' A' ' 39' ' ' ALA . 46.5 p90 -159.27 -45.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.411 ' HB1' ' CE2' ' A' ' 38' ' ' PHE . . . -100.48 -25.74 14.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.235 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.4 m 61.85 89.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.54 -171.25 42.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.424 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.7 mp -88.76 100.3 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 0.0 111.124 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -113.96 175.64 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 mt -142.05 103.94 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.78 89.17 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.6 mt -76.62 172.6 12.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.363 . . . . 0.0 111.02 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.66 113.87 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.3 mt -87.06 178.95 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.84 30.07 6.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.41 -173.58 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.36 74.82 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -136.93 31.27 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.23 -134.39 4.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.541 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.62 -46.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -73.64 163.51 27.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -103.24 -30.23 10.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.87 -28.66 0.92 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.92 138.91 32.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.4 126.92 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.38 -126.97 8.09 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -109.37 30.12 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.734 0.302 . . . . 0.0 110.951 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -153.27 158.55 41.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -123.79 146.92 47.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.421 ' CZ ' HG21 ' A' ' 36' ' ' THR . 65.2 m-85 -112.14 -22.31 11.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.17 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -167.29 174.07 8.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.823 0.344 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -117.96 133.91 55.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.1 p -176.82 -176.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -86.93 171.06 10.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.03 124.19 15.66 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.512 2.142 . . . . 0.0 112.321 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 60.73 55.6 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.015 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.415 ' CE2' ' HB2' ' A' ' 68' ' ' LYS . 3.0 m-85 -116.16 -48.05 2.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.797 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.44 170.37 28.37 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.4 m -141.84 117.13 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.358 . . . . 0.0 111.174 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.9 mt -76.89 114.79 16.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.787 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.9 m -141.35 171.47 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.235 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 79' ' ' ARG . 39.8 mtp180 -106.6 159.09 31.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.43 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 79.6 Cg_exo -44.81 -54.4 4.21 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.537 2.158 . . . . 0.0 111.382 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.66 -23.27 27.21 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.822 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' ARG . 2.5 mmm180 -89.28 -11.53 43.24 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.684 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 6.3 m -123.92 125.24 70.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 CA-C-O 120.989 0.423 . . . . 0.0 111.283 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.95 129.08 38.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.997 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -177.95 -62.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 67.8 -69.28 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.99 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -162.97 -141.99 3.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.8 mp -101.69 92.8 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 111.045 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.2 t -74.97 -52.13 11.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -169.49 116.89 0.68 Allowed Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.76 163.93 35.32 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.421 2.081 . . . . 0.0 112.27 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.87 123.11 25.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.8 m -158.48 157.97 33.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.328 -1.262 . . . . 0.0 112.476 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 p 58.61 -172.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.81 127.76 44.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.96 70.98 3.03 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.451 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.61 136.95 43.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.78 0.324 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.94 159.41 4.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.79 -44.55 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -79.98 105.48 11.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.369 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.0 -127.64 4.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.54 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -134.92 105.9 6.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.765 0.317 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.77 -53.51 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.58 161.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.833 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.4 HD22 ' CD1' ' A' ' 82' ' ' TYR . 2.0 mp -85.26 -177.38 6.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.29 -175.09 3.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.803 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -91.89 140.68 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.6 32.15 62.09 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -108.4 176.03 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.352 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -117.95 149.38 41.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.7 m -145.86 178.46 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.1 tp -143.43 131.41 21.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.8 mt -76.61 138.75 40.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 t -101.81 30.88 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.3 p -119.48 -54.45 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -124.67 15.63 8.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.286 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 53.38 87.24 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.87 0.367 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -154.37 121.23 5.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 93.3 mtp -77.3 156.27 31.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -159.95 155.56 25.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.1 m -97.76 132.34 43.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.13 127.91 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.155 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -116.06 -39.96 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -127.87 147.49 50.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.989 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -144.1 105.45 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.216 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.54 170.06 24.63 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.482 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.28 145.17 36.47 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.605 2.204 . . . . 0.0 112.289 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.2 p -102.23 -179.41 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -98.23 -39.51 8.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -66.76 -36.26 82.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -131.14 169.95 15.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.56 161.82 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.85 -135.18 12.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.08 146.51 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 111.089 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -145.42 175.76 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.774 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.0 mt -145.53 110.07 5.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.91 85.67 0.67 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.388 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.1 mt -74.22 168.53 19.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -149.5 128.19 12.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.1 mt -100.33 178.51 4.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 30.51 7.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.408 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -173.61 -175.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.42 81.33 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -141.09 33.96 1.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.37 -170.38 12.11 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.458 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -41.61 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.752 0.31 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -87.95 150.3 23.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -80.05 -24.09 40.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.068 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.411 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 165.39 -29.81 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -134.67 165.81 24.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.86 0.362 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.79 109.15 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.05 -130.67 10.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.504 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -110.03 30.05 7.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.748 0.309 . . . . 0.0 110.998 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -128.74 178.44 6.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.08 143.73 50.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -135.39 -56.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.411 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 5.1 p90 -138.47 162.33 34.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.6 m -120.69 119.11 31.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.3 p -162.39 176.09 10.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.19 169.46 11.68 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.7 124.82 16.62 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.57 2.18 . . . . 0.0 112.281 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 61.36 54.71 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.408 ' CE2' ' HA ' ' A' ' 50' ' ' SER . 3.4 m-85 -122.85 -44.24 2.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.407 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -97.17 164.99 22.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.8 m -147.82 148.34 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -107.1 128.76 54.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.7 m -143.9 179.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 79' ' ' ARG . 12.5 mtm180 -109.9 152.54 43.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.435 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 83.6 Cg_exo -45.4 -53.69 5.2 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.485 2.124 . . . . 0.0 111.339 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.83 -23.55 31.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.783 178.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 76' ' ' ARG . 16.0 mmm-85 -89.3 -10.29 47.36 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.631 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.435 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 34.7 m -122.77 167.11 16.73 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 CA-C-O 120.904 0.383 . . . . 0.0 111.344 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 p -149.85 149.19 30.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.4 ' CD1' HD22 ' A' ' 13' ' ' LEU . 2.2 p90 -160.07 29.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.003 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 57.2 91.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -76.4 -53.87 5.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.528 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.8 tt -174.85 133.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.339 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.0 m -155.89 -48.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 144.47 100.36 0.31 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.27 66.66 1.05 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.493 2.129 . . . . 0.0 112.245 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.5 m -127.28 -176.49 3.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -176.63 -50.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.416 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.143 0 N-CA-C 112.584 -0.206 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.87 161.45 13.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.12 156.74 16.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.38 73.36 0.65 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.452 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 t -76.42 -29.29 56.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.752 0.31 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 62.83 104.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.78 -172.09 28.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.41 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 61.76 115.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.93 87.02 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 p -154.0 139.46 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.2 p -128.7 -44.84 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.072 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -77.44 176.53 8.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.04 170.41 16.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -106.49 159.77 15.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -71.06 134.96 47.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.31 37.2 70.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.538 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -103.04 168.78 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -106.52 125.91 51.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.2 m -128.98 142.24 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.8 tp -104.08 145.24 30.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.08 139.1 31.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 t -98.73 31.47 2.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.26 -47.91 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 m -131.75 10.68 4.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.313 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 m120 54.7 83.99 0.07 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.81 0.338 . . . . 0.0 110.995 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.62 120.86 9.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 60.8 mmm -70.62 150.72 45.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.39 -179.94 7.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.3 m -126.98 125.85 42.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -77.11 124.51 35.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.182 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -111.54 -33.85 6.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -143.65 141.18 30.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.8 t -133.21 112.93 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.65 -172.59 40.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.43 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.06 175.85 7.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.626 2.217 . . . . 0.0 112.286 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.414 HG22 ' CD1' ' A' ' 43' ' ' TRP . 69.3 p -127.83 176.46 7.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -102.97 -31.26 10.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.417 ' CE2' HG12 ' A' ' 59' ' ' VAL . 52.9 p90 -78.28 -31.22 48.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HB1' ' CD1' ' A' ' 38' ' ' PHE . . . -125.55 179.3 5.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.1 m -125.69 88.46 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.83 176.53 43.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mp -83.35 111.97 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 111.153 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.414 ' CD1' HG22 ' A' ' 36' ' ' THR . 85.0 m95 -115.17 179.64 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.1 mt -145.27 125.28 13.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.7 80.2 1.59 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.527 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 85.1 mt -79.75 167.65 20.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.995 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -151.48 107.67 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.3 mt -73.31 165.7 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -100.67 32.23 3.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.06 173.54 1.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.8 97.0 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.04 30.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.38 179.81 16.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -110.6 -36.07 5.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -79.09 -179.38 6.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -133.2 29.97 3.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.425 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 95.41 -37.05 3.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.578 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -111.91 130.58 55.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.417 HG12 ' CE2' ' A' ' 38' ' ' PHE . 20.7 t -112.03 105.43 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.95 -113.08 4.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.0 24.34 13.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.754 0.312 . . . . 0.0 111.003 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -160.03 137.91 9.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.91 148.68 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -115.21 -10.72 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.337 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.425 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 21.2 p90 -162.94 158.82 22.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 m -110.05 137.45 47.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.831 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.2 p -176.7 178.54 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -80.47 169.22 20.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.4 122.98 12.19 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.612 2.208 . . . . 0.0 112.258 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 61.08 64.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -125.15 -61.04 1.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -93.37 161.3 25.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.444 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.5 m -134.04 179.54 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.353 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mp -130.89 120.49 23.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.6 m -139.46 171.05 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.052 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 79' ' ' ARG . 1.3 mtt180 -99.81 151.06 37.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -45.93 -50.66 9.44 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.441 2.094 . . . . 0.0 111.346 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.46 -23.12 23.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.708 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.9 OUTLIER -91.33 -10.41 41.39 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.863 179.262 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 m -131.21 125.08 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 121.061 0.457 . . . . 0.0 111.594 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.1 m -113.11 141.85 46.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.845 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -139.98 -46.82 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 63.8 137.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.6 -104.4 1.4 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 pt -59.34 166.07 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 111.215 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t 63.58 135.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 140.31 -168.82 25.01 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.536 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.97 107.7 1.96 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.554 2.169 . . . . 0.0 112.312 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.91 -53.03 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 83.9 p -87.66 -31.31 19.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.45 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -107.42 138.66 43.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.772 0.32 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.1 p -162.72 -175.06 4.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.72 45.93 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.459 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.64 143.96 28.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -117.42 85.55 2.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.54 -160.63 30.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -72.78 -176.79 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.06 92.38 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.432 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -167.05 35.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.788 0.328 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p -64.92 133.31 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -101.25 166.48 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.415 HD22 ' CE1' ' A' ' 82' ' ' TYR . 46.7 mt -90.43 145.97 24.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -101.99 175.42 5.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -77.6 114.14 16.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.12 36.03 1.55 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.406 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -122.54 173.62 7.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -122.66 135.78 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.4 m -137.83 143.2 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 tp -112.87 127.65 56.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.4 mt -67.68 145.01 55.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 t -99.0 31.08 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.3 m -141.66 -47.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.66 -21.81 17.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.054 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 67.37 42.62 2.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.876 0.369 . . . . 0.0 110.806 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -128.77 121.99 29.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 30.6 mtp -68.03 144.73 55.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.24 146.09 38.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.6 m -89.66 139.67 30.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.23 134.04 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.106 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -120.01 -45.89 2.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -131.54 145.62 51.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -145.52 100.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 177.6 -163.13 31.39 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.03 -174.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.602 2.201 . . . . 0.0 112.322 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.73 171.83 15.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.46 -56.67 2.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.409 ' CD1' ' CG1' ' A' ' 59' ' ' VAL . 49.1 p90 -61.14 -35.75 77.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.09 -170.57 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.91 -177.34 3.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.7 -139.36 20.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.444 HD12 HG22 ' A' ' 42' ' ' ILE . 30.7 mt -131.26 134.54 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.897 0.38 . . . . 0.0 111.086 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -131.49 166.84 20.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.2 mt -123.9 117.42 24.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.35 78.0 0.58 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.59 160.29 31.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.329 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -145.69 103.54 3.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.8 mt -80.62 163.97 23.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.24 30.95 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 p -170.63 154.37 4.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.79 86.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.066 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.03 31.91 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -122.89 -141.69 5.98 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -152.3 -47.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -70.25 148.24 48.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -99.04 26.95 5.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.32 -42.19 2.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.23 112.27 22.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 111.196 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.409 ' CG1' ' CD1' ' A' ' 38' ' ' PHE . 21.5 t -98.07 106.58 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.5 -118.77 4.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.41 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -107.37 29.39 7.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.06 180.0 8.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.71 154.9 42.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -125.21 1.82 7.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.453 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -176.78 160.91 1.97 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -115.56 123.19 47.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.6 p -168.41 -177.28 3.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -80.88 168.77 22.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.34 120.98 8.17 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.468 2.112 . . . . 0.0 112.331 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 61.71 57.77 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 68' ' ' LYS . 4.0 m-85 -119.31 -48.18 2.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.799 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.09 173.04 32.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.497 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 m -152.56 158.91 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.45 124.75 51.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.821 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.8 m -135.31 179.48 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' ARG . 27.5 mtp85 -111.48 145.74 33.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.982 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.423 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 83.8 Cg_exo -45.6 -56.35 2.87 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.375 2.05 . . . . 0.0 111.315 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.5 t -56.15 -22.97 31.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.842 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 76' ' ' ARG . 52.7 mmm-85 -91.01 -8.84 47.98 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.666 179.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 35.0 m -123.01 167.0 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.075 0 CA-C-O 120.886 0.374 . . . . 0.0 111.131 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.18 156.29 40.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.003 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.415 ' CE1' HD22 ' A' ' 13' ' ' LEU . 2.3 p90 -152.68 149.16 28.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -104.07 -65.79 1.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.07 -86.56 0.46 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.6 tt -73.56 121.89 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 m 60.77 166.43 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 124.9 -52.03 0.81 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.435 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -51.76 127.85 24.36 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.614 2.21 . . . . 0.0 112.352 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -148.28 129.59 14.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.6 89.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.499 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -145.45 142.53 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.11 -60.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.23 89.97 0.13 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m 60.32 163.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.349 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 60.17 179.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.05 161.46 11.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -85.52 175.94 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.36 47.67 1.04 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.8 m -111.61 129.46 56.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.9 p -109.84 -31.77 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.02 -169.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 mp -75.59 143.71 42.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -110.31 146.64 35.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.03 139.33 58.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.86 28.81 22.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.525 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.99 179.15 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.348 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -119.29 121.98 40.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.7 m -119.23 154.4 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.2 tp -117.62 130.29 56.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -72.81 144.64 47.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.48 31.67 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.0 m -151.13 -47.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -87.4 -20.43 26.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 62.96 45.34 5.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 110.826 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.93 137.83 38.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.806 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.6 mtp -76.93 136.8 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.52 145.4 51.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.056 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.6 m -88.85 132.06 34.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.96 129.21 37.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.095 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -116.55 -39.1 3.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -130.55 150.13 51.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.1 t -150.12 104.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.19 -179.16 39.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.582 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.12 155.92 8.29 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.631 2.221 . . . . 0.0 112.359 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.5 p -122.02 -178.71 3.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.36 -45.29 3.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -63.96 -38.75 92.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.5 170.73 9.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.7 p -112.5 111.64 22.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.7 -162.87 28.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.9 mp -108.0 106.7 21.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.2 m95 -110.59 173.42 6.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.3 mt -132.38 121.5 23.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.66 78.79 0.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.392 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.2 mt -73.35 171.25 13.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.995 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.74 132.85 14.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.2 mt -105.06 172.27 6.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -108.82 31.22 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.6 p -168.66 170.44 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.54 90.46 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -154.3 36.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.14 -162.84 11.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.538 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.21 -51.25 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.735 0.302 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -77.98 147.54 34.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -98.66 31.42 2.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 100.61 -28.33 16.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.451 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.37 137.79 52.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.802 0.334 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.83 100.15 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.08 -116.62 4.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.421 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.93 30.01 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -159.97 157.59 29.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.24 149.22 52.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 64' ' ' TYR . 4.4 m-85 -118.0 -6.23 10.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.387 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.42 ' CE2' ' HA3' ' A' ' 72' ' ' GLY . 14.9 p90 -170.96 163.56 7.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.93 129.23 56.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.8 p -173.8 -178.9 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.47 167.19 38.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.3 122.27 11.2 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.564 2.176 . . . . 0.0 112.282 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 62.28 62.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -125.78 -52.11 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.42 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -91.32 177.8 41.21 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.0 m -150.5 165.75 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 0.0 111.235 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.0 119.56 25.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.5 m -137.27 179.89 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.076 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 79' ' ' ARG . 27.6 mtm105 -109.56 156.36 39.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -45.32 -51.26 8.07 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.524 2.149 . . . . 0.0 111.374 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 m -55.33 -22.98 21.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.785 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 76' ' ' ARG . 5.2 mtt180 -93.84 -10.1 35.15 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.961 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.6 m -133.64 124.88 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-O 121.061 0.457 . . . . 0.0 111.544 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -129.13 128.37 43.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.843 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -112.54 14.18 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.282 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 53.06 -177.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.775 0.321 . . . . 0.0 111.111 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.08 154.43 9.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.552 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.3 mt 63.21 122.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 111.066 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.8 m 60.54 177.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.62 -171.95 47.35 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.526 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.26 96.76 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.576 2.184 . . . . 0.0 112.288 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 p -109.89 -32.37 7.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.27 177.3 7.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.492 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 112.586 -0.206 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -98.34 -35.58 10.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -147.49 115.1 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.89 -92.0 0.78 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -72.21 135.51 46.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.13 160.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.28 -172.7 5.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.602 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 60.14 162.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.52 -96.84 0.11 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.2 t 45.11 -167.1 0.01 OUTLIER 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.841 0.353 . . . . 0.0 111.327 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.02 -20.51 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.409 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.2 mttt 63.18 143.6 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.939 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.1 mt -97.5 163.49 12.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -132.79 156.98 46.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -66.68 108.71 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.0 29.72 4.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.65 163.93 14.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -112.42 108.59 17.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -119.39 167.63 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.2 tp -132.38 137.02 47.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 mt -72.79 152.3 41.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -106.65 32.68 4.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 m -143.22 -47.57 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.816 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.7 m -94.98 -19.15 20.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.1 t30 67.43 37.87 3.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.827 0.346 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -125.76 134.29 51.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.02 158.65 29.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.57 149.53 23.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.6 m -86.65 142.59 28.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.12 134.48 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -116.94 -40.04 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -138.57 153.88 48.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -147.48 127.64 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.0 178.79 17.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.33 170.39 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.566 2.177 . . . . 0.0 112.256 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.8 p -121.92 -172.93 2.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.26 -31.04 9.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 39' ' ' ALA . 15.1 p90 -91.01 -31.45 16.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.444 ' N ' ' CD1' ' A' ' 38' ' ' PHE . . . -106.67 178.33 4.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.5 59.49 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.77 -128.99 1.3 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.7 mp -141.11 116.15 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 111.189 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -123.71 169.62 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.6 mt -125.71 126.64 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.36 85.7 1.33 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.541 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.3 mt -79.3 164.26 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -148.89 110.39 4.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.9 mt -80.15 -179.97 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -97.28 -33.91 11.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.934 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.8 p -115.74 177.49 4.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.403 ' CB ' ' CE1' ' A' ' 71' ' ' TYR . . . -77.97 89.23 4.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.99 48.38 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.33 -161.27 8.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.66 31.73 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.805 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -133.01 178.1 7.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -134.46 31.18 3.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.413 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 91.35 -51.37 3.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -130.69 164.84 24.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 111.133 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -151.97 123.18 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.1 -134.39 12.45 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -108.56 30.08 6.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -144.59 170.25 16.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.17 151.5 42.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.406 ' HB2' ' CD1' ' A' ' 65' ' ' PHE . 23.5 m-85 -130.77 -48.28 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.413 ' CD2' ' HA2' ' A' ' 57' ' ' GLY . 8.3 p90 -152.72 166.3 32.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.85 117.9 29.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.3 p -156.3 -177.11 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -81.35 163.0 56.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.19 117.94 4.09 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.488 2.125 . . . . 0.0 112.314 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 62.59 61.26 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.403 ' CE1' ' CB ' ' A' ' 51' ' ' ALA . 4.8 m-85 -128.24 -47.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -87.75 175.61 45.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 m -148.95 146.94 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 111.167 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.75 113.3 25.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.1 m -127.85 167.84 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -97.58 154.37 37.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.006 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.417 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 88.2 Cg_exo -46.2 -53.01 6.38 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.432 2.088 . . . . 0.0 111.21 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 p -56.05 -23.56 34.14 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.783 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' ARG . 26.3 mmt85 -87.91 -11.32 47.97 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.517 179.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.417 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 35.7 m -122.53 169.88 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.066 0 CA-C-O 120.9 0.381 . . . . 0.0 111.181 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.8 161.28 36.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -167.42 -174.5 2.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.46 -58.37 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.88 -54.89 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 mt 60.44 85.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 111.074 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.7 p -68.27 -31.17 70.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 154.4 -72.3 0.26 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.3 175.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.605 2.203 . . . . 0.0 112.323 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.0 p -136.2 -178.62 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -74.05 -52.52 12.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.479 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.72 83.83 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 110.837 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -154.1 -52.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.88 -116.28 8.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.604 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 p -87.56 168.16 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -164.76 91.64 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.57 -167.58 12.97 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.52 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.82 129.9 42.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.341 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.64 46.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 p -82.12 174.56 11.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.362 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -149.8 -58.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.98 31.37 11.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 mt -128.36 136.01 50.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -132.6 47.54 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 60.9 113.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.22 39.91 1.0 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 m -138.33 169.51 17.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.791 0.329 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -105.75 137.47 43.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.2 m -143.98 149.21 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 tp -115.83 142.76 46.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.6 mt -81.64 146.93 29.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.793 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.1 p -83.9 -24.47 30.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 m -93.1 -73.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -58.1 -26.56 62.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.96 38.05 8.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.754 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -123.88 143.15 50.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.0 mtp -75.76 148.96 38.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.0 146.83 29.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 m -90.42 137.24 32.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.64 114.21 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -108.04 -30.48 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -146.26 138.29 25.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.5 134.55 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.48 178.26 16.42 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.98 173.03 11.76 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.587 2.192 . . . . 0.0 112.288 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.3 p -122.64 168.5 12.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -31.53 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' A' ' 39' ' ' ALA . 55.6 p90 -81.9 -46.72 13.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' N ' ' CD2' ' A' ' 38' ' ' PHE . . . -111.57 155.63 23.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.56 143.26 33.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.81 -131.09 6.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.433 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.9 mt -135.36 125.8 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -131.12 140.94 50.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.63 106.62 14.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.42 77.87 0.13 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 43.8 mt -70.88 166.98 19.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -147.2 120.11 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.6 mt -95.45 162.68 13.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.8 -32.94 35.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.3 p -114.0 172.75 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.83 106.74 5.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -155.63 31.37 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -131.71 -170.99 12.73 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -138.43 31.19 2.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.859 0.362 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -145.76 149.69 34.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -98.42 30.75 3.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.423 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 66.81 26.27 73.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.54 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -160.05 135.76 8.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.0 107.87 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.88 -138.07 16.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -98.77 30.06 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.68 169.52 17.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -130.33 161.91 30.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -132.48 -56.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 11.7 p90 -136.68 168.51 19.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.7 m -121.54 125.75 47.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.1 p -166.95 -179.31 4.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -73.51 164.73 58.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.986 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.44 121.71 10.42 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.527 2.151 . . . . 0.0 112.278 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 60.98 56.73 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.406 ' CD2' ' HB2' ' A' ' 68' ' ' LYS . 3.6 m-85 -120.08 -43.63 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.71 174.18 27.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.5 m -140.95 162.63 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.827 0.346 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.1 mt -122.44 105.1 9.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.402 ' CG2' ' CG1' ' A' ' 80' ' ' VAL . 5.3 m -127.63 176.64 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -106.28 153.77 40.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.995 -179.892 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -46.78 -52.04 8.2 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.368 2.045 . . . . 0.0 111.194 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.0 m -56.0 -22.97 29.99 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.833 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' ARG . 1.6 mmp_? -92.15 -9.22 43.23 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.798 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.402 ' CG1' ' CG2' ' A' ' 75' ' ' VAL . 11.1 m -121.97 134.07 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 CA-C-O 120.942 0.401 . . . . 0.0 111.489 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.86 145.8 50.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -143.87 -46.94 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 -171.9 145.44 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.98 -179.95 21.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.9 tt -157.46 141.32 7.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.83 0.348 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.52 -176.45 5.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.81 -157.66 16.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.81 143.31 50.21 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.591 2.194 . . . . 0.0 112.357 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.02 98.27 8.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.6 m -96.96 151.77 19.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.303 -1.276 . . . . 0.0 112.475 179.922 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.117 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.19 31.68 2.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -152.6 101.89 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.51 80.2 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.7 p -91.34 89.84 7.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.31 110.5 3.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.3 -89.26 0.57 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.529 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 60.18 31.29 20.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.365 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.78 -41.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.8 m -158.07 113.15 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.48 95.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.95 139.35 30.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mt 63.42 136.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -113.89 -66.78 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -178.2 152.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 59.61 28.89 65.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.499 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 m -99.94 168.05 10.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -109.04 148.84 30.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 m -151.68 175.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.0 tp -137.4 131.8 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.5 mt -73.41 145.27 45.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 t -98.71 31.44 2.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -131.72 -46.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.4 m -113.53 -8.51 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.259 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 m120 63.1 35.02 13.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -106.7 131.27 54.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 33.0 mtp -71.91 149.53 45.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.85 149.96 32.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.6 m -97.47 133.08 42.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.06 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.01 115.09 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -99.16 -34.86 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.04 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -143.4 143.1 31.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -133.23 114.58 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.19 -169.34 40.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.24 179.84 3.66 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.609 2.206 . . . . 0.0 112.313 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.409 HG23 ' CD1' ' A' ' 43' ' ' TRP . 14.1 p -131.87 -178.56 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.78 -30.31 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -83.07 -33.22 26.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.934 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.15 -37.84 4.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.174 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.37 105.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.782 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.08 -114.65 0.58 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.3 mm -137.16 100.93 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.409 ' CD1' HG23 ' A' ' 36' ' ' THR . 59.1 m95 -126.7 179.98 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.5 mt -143.39 127.13 17.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.09 91.92 1.14 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.8 mt -81.61 163.87 22.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -153.03 137.44 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.1 mt -120.53 173.55 7.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.93 36.21 3.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.0 t -170.64 174.35 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.64 68.12 5.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.05 33.23 4.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.937 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.74 -161.4 8.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.547 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.18 42.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 0.0 110.829 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -158.0 141.38 15.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -99.19 26.79 5.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 93.56 -41.86 2.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.59 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.98 137.62 42.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.8 t -127.11 117.88 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.66 -116.07 8.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -110.0 25.75 11.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.05 157.87 29.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.864 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 ptt-85 -126.84 145.04 50.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.983 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.407 ' CE2' HG21 ' A' ' 36' ' ' THR . 35.4 m-85 -112.25 -16.34 13.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.414 ' CD2' ' HA2' ' A' ' 57' ' ' GLY . 15.5 p90 -161.84 166.88 25.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.7 m -115.52 125.81 53.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.5 p -164.88 -174.82 3.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' CB ' ' CD1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -90.02 170.32 10.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.89 119.72 7.06 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.502 2.135 . . . . 0.0 112.275 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 63.91 51.88 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.413 ' CD1' ' CB ' ' A' ' 68' ' ' LYS . 8.5 m-85 -118.94 -41.95 2.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.77 169.86 19.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.8 m -143.3 158.12 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 111.113 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 mt -112.71 124.0 51.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.2 m -150.0 161.88 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 79' ' ' ARG . 18.3 mtt180 -97.38 159.31 31.5 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.459 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 85.2 Cg_exo -44.6 -55.84 3.01 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.509 2.139 . . . . 0.0 111.449 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 m -55.75 -23.21 28.03 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.896 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.9 OUTLIER -89.58 -10.13 47.21 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.718 179.173 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 24.3 m -121.96 138.18 53.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 CA-C-O 120.967 0.413 . . . . 0.0 111.337 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.39 150.12 25.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -173.5 120.79 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.61 103.72 12.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -167.79 64.14 0.2 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 pt -101.82 -29.36 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.8 t -111.76 -75.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -126.65 102.54 0.63 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.558 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -50.54 -27.53 19.31 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.619 2.212 . . . . 0.0 112.277 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -77.51 -69.84 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.821 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -112.91 105.16 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.471 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.107 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 m -135.61 -47.59 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 t -98.69 83.34 2.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.73 43.63 2.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.416 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.01 169.02 8.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -112.96 -63.27 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.09 108.82 3.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.45 -40.98 17.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.03 66.82 1.71 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 m -121.5 125.03 45.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.19 92.8 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.059 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -69.84 132.76 46.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.402 ' HG ' ' CE1' ' A' ' 82' ' ' TYR . 4.5 mp 59.85 106.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -87.56 -175.99 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -82.32 120.3 25.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.49 50.6 2.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -120.77 164.63 16.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -107.33 120.44 42.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.8 m -130.75 164.03 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.2 tp -120.17 154.0 35.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.0 mt -99.53 142.82 30.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -98.64 28.81 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.2 m -134.06 -46.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.764 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.2 m -103.48 -20.08 14.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 t30 67.83 41.81 2.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.938 0.399 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -127.99 137.54 52.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.86 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.39 159.91 32.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -158.22 141.57 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m -87.9 133.82 33.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.01 124.66 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.152 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -111.12 -41.48 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -131.92 153.57 50.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -152.0 138.38 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.89 -155.36 21.2 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.6 173.77 10.34 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.551 2.167 . . . . 0.0 112.281 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.402 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 72.7 p -139.65 -178.54 5.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -119.41 31.57 6.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.412 ' CD2' ' N ' ' A' ' 39' ' ' ALA . 54.9 p90 -149.16 -46.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.412 ' N ' ' CD2' ' A' ' 38' ' ' PHE . . . -93.5 -27.31 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.92 35.66 10.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.804 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -139.4 -163.54 9.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.3 mt -96.27 104.61 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 111.07 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -125.9 167.52 15.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mp -128.09 120.77 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.72 69.0 0.58 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.06 155.48 23.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.818 0.342 . . . . 0.0 110.972 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.29 107.64 5.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mt -85.29 160.17 19.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.93 36.95 1.47 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 m -170.15 148.29 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.78 97.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -162.1 35.48 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -124.92 -149.66 7.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.548 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -147.59 31.53 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.787 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -156.7 152.79 27.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -89.33 -31.57 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.415 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 159.33 -27.83 0.38 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.11 152.59 44.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.56 127.01 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.76 -127.69 36.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.9 29.93 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -143.29 154.98 44.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -107.4 159.83 16.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.412 ' CD2' HD23 ' A' ' 74' ' ' LEU . 54.3 m-85 -139.83 -48.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.415 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 7.8 p90 -150.06 179.08 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 t -136.22 124.06 22.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.0 p -167.56 -178.06 3.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.55 173.42 3.45 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.21 119.77 7.21 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.579 2.186 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 61.69 50.35 4.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.021 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -108.86 -31.61 7.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.33 160.93 13.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.6 m -138.41 167.25 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.412 HD23 ' CD2' ' A' ' 64' ' ' TYR . 1.9 mp -125.62 115.71 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.3 m -129.94 173.86 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.003 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 4.4 mtt180 -91.65 147.11 34.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.424 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 83.3 Cg_exo -46.18 -50.71 9.64 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.349 2.033 . . . . 0.0 111.144 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.2 p -56.19 -24.04 39.22 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.69 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 76' ' ' ARG . 14.6 mmm-85 -86.43 -11.4 51.98 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.517 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.424 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 28.9 m -122.04 164.22 19.32 Favored 'Isoleucine or valine' 0 C--N 1.338 0.07 0 CA-C-O 120.927 0.394 . . . . 0.0 111.178 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.09 160.07 43.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.402 ' CE1' ' HG ' ' A' ' 13' ' ' LEU . 2.2 p90 -164.07 -173.06 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -139.11 132.06 29.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 160.95 141.46 3.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.3 pt -72.19 73.57 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.908 0.385 . . . . 0.0 111.194 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 51.64 29.4 5.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.159 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -168.14 142.41 7.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.571 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.51 107.04 2.39 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.555 2.17 . . . . 0.0 112.303 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.4 p 56.7 103.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.011 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.2 t 59.33 164.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.463 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.72 131.62 44.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.4 129.24 26.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.05 99.25 2.49 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.57 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.61 30.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t 58.73 175.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.55 103.68 1.0 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.436 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.55 -32.9 13.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.9 110.35 1.7 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.1 t 45.32 -167.61 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.863 0.363 . . . . 0.0 111.345 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -117.05 139.57 43.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -86.39 158.45 19.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.2 mt -125.07 -177.0 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.06 34.6 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 60.52 110.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.9 34.79 1.21 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.89 168.62 17.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.354 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -100.46 145.58 28.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.1 m -147.27 167.46 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.0 tp -131.72 141.05 49.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.1 mt -89.73 149.48 22.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.44 31.3 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.8 m -138.64 -47.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -100.46 -16.21 17.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 m120 61.61 41.02 12.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.929 0.395 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -126.6 129.09 47.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.8 mtp -67.0 156.9 34.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.03 155.77 33.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.7 m -96.78 142.04 29.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.7 t -84.04 124.78 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.03 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -112.17 -35.11 5.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -140.53 153.63 46.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 t -145.05 121.65 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.93 -158.86 27.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.17 -175.87 1.4 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.565 2.177 . . . . 0.0 112.297 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.416 HG23 ' CD1' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -133.37 177.38 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -96.36 -30.44 13.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.419 ' CD1' HG11 ' A' ' 59' ' ' VAL . 41.3 p90 -103.48 31.32 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -174.67 166.58 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.69 86.74 2.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.24 -137.14 2.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -123.14 136.8 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.416 ' CD1' HG23 ' A' ' 36' ' ' THR . 88.5 m95 -146.68 168.83 20.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mt -138.74 104.81 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.59 89.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 64.2 mt -76.89 175.58 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 0.0 110.937 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -157.11 113.98 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 mt -88.24 175.26 7.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -92.72 -33.02 14.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.17 175.89 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.19 94.03 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.022 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -146.1 37.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.08 -170.98 12.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -129.22 31.21 4.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -136.22 153.92 51.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -112.92 30.06 7.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' A' ' 65' ' ' PHE . . . 91.57 -47.32 2.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.577 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.77 127.14 55.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.419 HG11 ' CD1' ' A' ' 38' ' ' PHE . 21.3 t -109.66 111.98 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.46 -122.32 12.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.78 29.98 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -158.58 175.32 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -148.51 144.8 27.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.402 ' CD1' HD13 ' A' ' 74' ' ' LEU . 42.4 m-85 -111.32 -18.89 12.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.411 ' CD1' ' HA2' ' A' ' 57' ' ' GLY . 16.4 p90 -159.35 156.25 28.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.97 102.27 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 p -144.64 -175.2 4.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.998 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.407 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -80.71 169.22 20.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.15 118.73 5.32 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.55 2.166 . . . . 0.0 112.275 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 62.01 52.58 3.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.055 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.407 ' CD2' ' HB2' ' A' ' 68' ' ' LYS . 3.7 m-85 -114.3 -36.26 4.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.781 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.79 175.05 16.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.52 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.8 m -146.6 163.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.312 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 64' ' ' TYR . 1.6 mt -114.75 116.23 28.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.2 m -134.86 169.49 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 79' ' ' ARG . 16.9 mtm105 -103.08 153.67 38.16 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.037 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.43 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 81.3 Cg_exo -44.93 -54.98 3.7 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.518 2.145 . . . . 0.0 111.325 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.75 -23.36 28.92 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.844 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 76' ' ' ARG . 2.3 mmp_? -89.85 -10.3 45.84 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.61 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 5.5 m -124.54 125.27 69.89 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 CA-C-O 120.922 0.391 . . . . 0.0 111.303 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.6 m -84.43 130.05 34.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -137.82 112.26 8.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.27 136.74 25.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -150.89 87.56 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.438 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.9 mm 61.76 112.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 111.072 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.83 134.96 34.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.68 67.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.523 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.3 62.08 3.43 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.631 2.221 . . . . 0.0 112.279 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.55 -48.39 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -150.83 96.96 2.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.481 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.4 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.778 0.323 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -126.21 -54.13 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -179.35 159.91 0.96 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.93 28.32 68.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.624 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 m -104.78 166.32 10.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.358 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -123.78 128.57 49.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.6 m -134.69 145.51 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.452 HD12 ' C ' ' A' ' 26' ' ' GLU . 21.0 tp -110.16 131.97 54.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.33 140.94 58.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -98.76 33.29 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.49 -47.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -94.8 -19.18 20.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.0 m120 63.01 55.81 1.91 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.02 0.438 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.452 ' C ' HD12 ' A' ' 20' ' ' LEU . 7.8 mm-40 -141.8 124.12 15.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.7 mtp -60.0 154.07 19.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -153.32 138.28 17.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.7 m -87.41 132.38 34.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.91 120.4 32.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.174 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -107.7 -50.27 3.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 33' ' ' VAL . 48.9 t80 -115.53 157.11 24.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.565 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.5 t -150.91 125.86 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.81 -176.0 21.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.12 154.72 66.03 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.501 2.134 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.5 p -108.14 172.46 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.02 -30.99 11.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.48 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 55.5 p90 -75.18 -31.2 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.78 170.71 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.2 p -108.71 90.8 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.3 175.16 28.91 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.3 mm -81.45 145.68 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.364 . . . . 0.0 111.069 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.44 ' HB3' HD22 ' A' ' 74' ' ' LEU . 85.4 m95 -142.34 175.09 10.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.565 ' CD2' HG13 ' A' ' 33' ' ' VAL . 17.5 mt -139.21 107.5 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.91 97.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.521 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.486 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 93.9 mt -91.56 157.73 16.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -144.61 116.4 8.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 71' ' ' TYR . 14.3 mt -93.81 166.69 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -98.36 35.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.0 t -175.9 174.38 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.37 86.13 7.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -143.65 35.96 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.81 -158.89 8.13 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.551 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -142.02 30.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -134.0 155.04 50.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -110.43 33.02 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.41 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 97.73 -44.5 1.83 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.462 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . . . -136.72 156.31 48.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.43 114.37 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.18 -130.78 10.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -106.87 30.05 6.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.02 129.56 27.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.462 ' HG3' ' HB2' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -96.73 129.97 44.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.453 ' HH ' ' HE1' ' A' ' 38' ' ' PHE . 47.6 m-85 -113.02 -31.31 6.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.412 ' HD2' ' HG ' ' A' ' 67' ' ' CYS . 15.2 p90 -171.22 179.8 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.8 t -133.83 119.02 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.412 ' HG ' ' HD2' ' A' ' 65' ' ' PHE . 22.1 p -161.5 173.45 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.443 ' CB ' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -61.35 167.47 4.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.94 124.51 15.87 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.668 2.245 . . . . 0.0 112.258 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.7 m120 61.78 51.28 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.067 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.471 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.4 m-85 -112.38 -50.22 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.38 171.67 31.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.449 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.6 m -143.11 163.02 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.76 0.314 . . . . 0.0 111.196 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.48 HD13 ' CZ ' ' A' ' 38' ' ' PHE . 7.3 mt -118.48 119.78 35.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.433 HG22 HD12 ' A' ' 46' ' ' LEU . 3.1 m -139.16 166.15 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -98.96 152.41 37.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.581 ' HA ' HG22 ' A' ' 80' ' ' VAL . 84.1 Cg_exo -45.87 -56.87 2.52 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.476 2.117 . . . . 0.0 111.277 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.53 -23.46 40.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.719 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -87.08 -11.77 49.2 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 179.015 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.581 HG22 ' HA ' ' A' ' 77' ' ' PRO . 27.4 m -121.73 170.28 12.04 Favored 'Isoleucine or valine' 0 C--O 1.23 0.078 0 CA-C-O 120.874 0.369 . . . . 0.0 111.24 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.961 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.623 HD22 HD13 ' A' ' 44' ' ' LEU . 2.8 mp . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.855 0.359 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -174.6 165.73 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.73 99.41 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.66 48.05 0.17 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.564 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 m -133.39 163.79 28.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 110.781 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -117.96 114.48 23.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.54 HG21 HD21 ' A' ' 46' ' ' LEU . 31.0 m -114.79 169.5 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.1 tp -138.55 149.25 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.84 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.667 HD23 HG12 ' A' ' 80' ' ' VAL . 44.1 mt -94.9 125.2 39.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t -68.87 -32.53 72.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.63 48.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.806 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.29 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.1 m120 62.56 49.58 3.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -131.71 106.62 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.2 mtp -59.97 148.32 35.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.493 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . . . -152.81 149.84 28.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.084 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.7 m -88.76 143.23 27.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.08 129.15 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.097 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -109.43 -41.81 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -130.47 150.58 51.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.602 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.5 t -139.21 108.21 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.92 -177.59 37.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.423 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.1 -178.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.582 2.188 . . . . 0.0 112.411 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.681 HG22 ' HE2' ' A' ' 64' ' ' TYR . 36.9 p -132.94 162.97 30.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -81.28 -36.13 30.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -85.18 -44.95 12.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.459 ' HB3' ' OG1' ' A' ' 36' ' ' THR . . . -101.27 178.35 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.2 t -137.46 96.56 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 172.39 -137.57 4.31 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.4 mt -117.94 105.84 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.342 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.408 ' CD2' ' HG2' ' A' ' 76' ' ' ARG . 58.8 m95 -126.19 159.72 32.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.623 HD13 HD22 ' A' ' 13' ' ' LEU . 10.3 mt -127.48 124.65 38.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.78 85.65 0.65 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.527 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.54 HD21 HG21 ' A' ' 19' ' ' VAL . 86.6 mt -72.57 166.5 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -146.02 100.96 3.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.493 ' CD2' ' HB2' ' A' ' 28' ' ' ALA . 17.9 mt -82.31 161.11 22.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.68 -31.01 15.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.3 t -91.45 167.23 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.77 80.22 4.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -151.01 33.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.822 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.08 -166.88 22.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -131.01 30.96 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -156.54 154.36 30.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.35 -32.86 10.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 159.52 -28.81 0.38 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.71 ' HB2' ' HD2' ' A' ' 63' ' ' ARG . . . -133.44 146.9 51.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 111.069 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.16 127.06 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.38 -130.95 26.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.79 30.0 6.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.46 155.91 41.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.71 ' HD2' ' HB2' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -109.48 160.87 15.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.681 ' HE2' HG22 ' A' ' 36' ' ' THR . 49.6 m-85 -132.2 -46.71 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -152.98 171.33 18.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.78 103.32 9.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.89 -174.4 4.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 166.01 38.01 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.5 127.76 26.71 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.617 2.211 . . . . 0.0 112.274 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m120 61.61 60.56 1.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.029 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -130.74 -57.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -85.52 161.53 35.43 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.7 m -135.73 155.13 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.048 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.518 HD21 ' CD2' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -113.95 116.58 29.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.509 HG21 ' CG1' ' A' ' 80' ' ' VAL . 5.5 m -133.43 175.46 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 79' ' ' ARG . 5.5 mtt180 -109.29 151.87 42.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.418 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 84.5 Cg_exo -45.51 -51.38 8.09 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.488 2.125 . . . . 0.0 111.304 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.3 m -55.49 -22.79 22.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.807 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 76' ' ' ARG . 5.3 mmt180 -95.41 -6.88 39.89 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.941 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.667 HG12 HD23 ' A' ' 21' ' ' LEU . 16.5 m -133.69 126.16 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-O 120.963 0.411 . . . . 0.0 111.651 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 46.7 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.858 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.502 ' O ' HG11 ' A' ' 33' ' ' VAL . 25.6 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.849 0.357 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -121.43 -57.68 1.82 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.08 133.34 6.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.819 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.76 53.25 28.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.44 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 30' ' ' VAL . 43.6 m -119.7 149.59 41.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -96.04 115.12 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.8 m -129.33 152.0 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.508 HD12 ' C ' ' A' ' 26' ' ' GLU . 21.7 tp -111.89 147.36 35.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.638 HD23 HG12 ' A' ' 80' ' ' VAL . 26.9 mt -91.46 135.72 33.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.797 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 79' ' ' ARG . 4.0 t -79.43 -25.97 41.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.6 p -93.89 -47.47 6.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.099 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.431 ' HB2' HD12 ' A' ' 21' ' ' LEU . 2.1 m -79.1 -29.64 43.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.051 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.8 t30 63.57 42.43 6.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.508 ' C ' HD12 ' A' ' 20' ' ' LEU . 3.3 mm-40 -142.14 133.37 26.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.42 ' HG2' HD13 ' A' ' 20' ' ' LEU . 6.8 mtp -66.18 158.46 28.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.488 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -159.12 165.58 33.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.6 m -102.81 132.54 48.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 17' ' ' SER . 21.7 t -81.69 127.17 39.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.135 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -112.87 -48.34 3.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -116.8 143.63 45.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.502 HG11 ' O ' ' A' ' 13' ' ' LEU . 21.6 t -147.61 111.36 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.61 -158.62 30.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.534 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.9 158.51 56.52 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.575 2.183 . . . . 0.0 112.344 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.4 p -117.62 177.65 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -110.86 -32.97 6.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -79.22 -31.83 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.21 -176.52 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 p -130.27 89.83 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.45 -160.85 33.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.399 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.2 mt -101.46 121.93 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.656 ' O ' HD23 ' A' ' 44' ' ' LEU . 56.8 m95 -130.61 177.56 7.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 43' ' ' TRP . 8.5 mt -140.89 135.75 31.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.37 85.56 1.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.532 ' CD1' HD21 ' A' ' 21' ' ' LEU . 78.8 mt -72.91 164.66 26.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.012 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.31 123.54 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 71' ' ' TYR . 2.7 mt -108.98 158.06 18.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -99.02 31.08 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.25 149.68 26.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.67 86.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -156.25 30.31 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.69 -158.54 16.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.545 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -144.9 31.9 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.825 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -164.82 164.99 20.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -98.82 -30.97 12.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.795 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.42 ' HA2' ' CE1' ' A' ' 65' ' ' PHE . . . 162.91 -29.07 0.25 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.596 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.58 155.75 37.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.653 HG21 ' CD1' ' A' ' 74' ' ' LEU . 21.5 t -142.37 100.34 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 -126.69 8.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -110.05 30.09 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.72 0.295 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -146.59 159.31 43.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.47 158.54 17.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -135.97 -58.2 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.42 ' CE1' ' HA2' ' A' ' 57' ' ' GLY . 19.0 p90 -140.83 179.91 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.04 101.99 4.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.9 p -145.33 -177.18 5.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 32.7 mtmt -74.12 167.93 31.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.31 122.77 12.09 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.498 2.132 . . . . 0.0 112.27 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 61.04 63.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.437 ' O ' HD12 ' A' ' 48' ' ' LEU . 4.0 m-85 -129.23 -45.43 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.37 152.78 17.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.9 m -128.96 175.16 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.653 ' CD1' HG21 ' A' ' 59' ' ' VAL . 5.4 mt -125.38 128.22 47.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.634 HG11 HD22 ' A' ' 21' ' ' LEU . 17.0 m -144.84 170.26 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' ARG . 23.2 mtm180 -107.78 154.4 40.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.487 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 80.4 Cg_exo -44.67 -55.52 3.25 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.577 2.185 . . . . 0.0 111.506 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -55.85 -23.44 30.8 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.688 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.698 ' O ' HG22 ' A' ' 22' ' ' THR . 4.8 mmm180 -87.6 -12.31 46.03 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.548 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.638 HG12 HD23 ' A' ' 21' ' ' LEU . 11.4 m -122.65 125.14 72.1 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.04 0 CA-C-O 120.965 0.412 . . . . 0.0 111.291 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.931 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -105.64 178.72 4.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.3 119.82 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.92 28.63 11.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -92.15 167.75 11.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -115.48 117.18 29.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.2 m -123.06 176.69 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.487 HD12 ' C ' ' A' ' 26' ' ' GLU . 15.0 tp -133.57 143.55 48.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.453 HD23 HG12 ' A' ' 80' ' ' VAL . 20.5 mt -86.61 147.46 25.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.6 p -100.04 31.17 3.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.07 -47.43 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.7 m -95.41 -20.45 19.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.057 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 67.48 38.94 3.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.862 0.363 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.487 ' C ' HD12 ' A' ' 20' ' ' LEU . 5.5 mm-40 -130.71 135.47 47.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.426 ' HG3' HD13 ' A' ' 20' ' ' LEU . 3.3 mtt -81.72 153.86 26.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.29 157.83 43.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.7 m -88.59 143.3 27.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.7 t -85.15 134.49 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.089 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -117.87 -44.45 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -124.29 144.6 49.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.613 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.5 t -145.46 106.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.76 -177.87 33.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.555 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.28 158.68 5.07 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.566 2.177 . . . . 0.0 112.384 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 p -107.7 176.79 5.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.82 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -110.82 -31.29 7.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -89.44 -44.03 10.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.77 -34.46 11.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.187 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.8 t 60.79 74.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.87 -115.54 0.38 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.453 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.1 mt -143.89 104.3 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.354 . . . . 0.0 111.201 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -137.67 170.99 15.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.635 HD12 HG21 ' A' ' 80' ' ' VAL . 3.7 mt -137.45 118.8 14.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.66 89.17 0.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.525 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.494 HD11 HG11 ' A' ' 80' ' ' VAL . 95.8 mt -80.56 166.47 21.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.794 0.331 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -143.59 144.83 32.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 71' ' ' TYR . 60.4 mt -113.54 173.47 6.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -94.08 -31.47 14.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.2 m -115.73 -179.62 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.96 103.03 13.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -164.19 30.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.19 -167.76 21.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.536 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -119.43 -42.32 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -89.72 170.19 10.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -96.58 -29.07 14.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.417 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 157.11 -25.91 0.49 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.566 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.438 ' HB1' ' O ' ' A' ' 62' ' ' LYS . . . -141.5 173.09 11.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -136.14 100.04 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.995 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.73 -107.01 2.6 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.424 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -110.11 -24.29 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.715 0.293 . . . . 0.0 111.16 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.438 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -81.28 162.23 23.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.902 0.382 . . . . 0.0 111.061 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.6 150.66 48.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.749 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -129.18 -52.75 1.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.417 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 5.7 p90 -141.53 174.38 10.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -129.38 127.37 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.4 p -174.61 178.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 166.45 43.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.54 125.03 17.63 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.594 2.196 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 61.45 64.34 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.444 ' O ' HD12 ' A' ' 48' ' ' LEU . 2.9 m-85 -128.59 -48.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.05 174.89 29.28 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.9 m -149.94 147.93 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 111.127 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.7 mt -104.25 117.4 34.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.504 HG21 ' CG1' ' A' ' 80' ' ' VAL . 5.4 m -129.57 179.54 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.468 ' O ' HG22 ' A' ' 80' ' ' VAL . 6.0 mtt180 -107.07 154.12 40.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.481 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 79.9 Cg_exo -44.87 -55.87 3.06 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.554 2.169 . . . . 0.0 111.449 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -55.72 -23.25 27.96 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.847 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 76' ' ' ARG . 2.0 mmp_? -88.84 -11.15 45.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.74 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.635 HG21 HD12 ' A' ' 44' ' ' LEU . 5.6 m -125.02 125.39 69.44 Favored 'Isoleucine or valine' 0 C--O 1.23 0.053 0 CA-C-O 120.929 0.395 . . . . 0.0 111.353 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.913 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.0 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.898 0.38 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.14 48.59 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 60.78 158.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.0 46.92 78.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.86 170.92 14.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -122.95 107.06 11.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.9 m -105.31 176.36 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.689 HD13 ' HG2' ' A' ' 27' ' ' MET . 60.8 tp -138.95 148.03 43.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.846 HD23 HG12 ' A' ' 80' ' ' VAL . 36.9 mt -90.96 128.83 36.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.9 p -88.56 56.93 3.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.91 -56.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.1 m -94.04 -22.3 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.78 75.45 0.32 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.853 0.358 . . . . 0.0 110.831 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -150.21 113.4 4.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.689 ' HG2' HD13 ' A' ' 20' ' ' LEU . 9.4 mmm -73.52 142.59 46.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.991 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -146.0 162.15 38.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.5 m -95.57 140.45 30.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.404 ' HA ' HD23 ' A' ' 46' ' ' LEU . 21.6 t -84.4 118.21 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.035 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -110.95 -32.05 6.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.038 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -134.39 145.34 48.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.499 HG13 HD23 ' A' ' 44' ' ' LEU . 22.4 t -148.58 107.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.051 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.54 -170.49 35.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.02 -178.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.589 2.193 . . . . 0.0 112.318 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.681 HG22 ' OH ' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -135.29 -176.39 4.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.794 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -108.47 -36.45 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -89.11 -32.01 17.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.8 -169.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.94 117.04 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.68 -149.59 21.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.523 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.0 mt -107.31 99.96 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.759 0.314 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -111.44 166.12 11.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.757 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.499 HD23 HG13 ' A' ' 33' ' ' VAL . 2.3 mt -134.89 123.21 23.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.95 80.5 1.82 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.991 HD13 ' HB3' ' A' ' 28' ' ' ALA . 46.7 mt -67.89 167.32 13.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -150.36 102.39 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.407 ' CD2' ' HB2' ' A' ' 28' ' ' ALA . 13.0 mt -75.32 170.1 16.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -106.42 31.29 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.403 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 2.8 p -163.16 176.67 9.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.69 81.92 3.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.009 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.41 35.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -132.35 -166.9 11.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -130.77 31.52 4.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -139.96 145.05 37.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -95.53 -31.2 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.401 ' HA2' ' CE1' ' A' ' 65' ' ' PHE . . . 152.95 -27.82 0.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.552 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.821 ' HB2' ' HD2' ' A' ' 63' ' ' ARG . . . -129.58 146.11 51.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.09 106.82 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.173 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 -130.35 10.19 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.92 30.03 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -148.44 161.11 42.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.821 ' HD2' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -118.32 162.29 18.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.681 ' OH ' HG22 ' A' ' 36' ' ' THR . 93.7 m-85 -137.2 -47.06 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CE1' ' HA3' ' A' ' 72' ' ' GLY . 17.1 p90 -146.82 161.3 40.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 t -115.56 102.28 9.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.65 -172.55 3.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -81.85 170.17 16.04 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -60.65 125.03 16.26 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.631 2.221 . . . . 0.0 112.28 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 61.75 52.14 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.039 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 50' ' ' SER . 4.3 m-85 -120.97 -42.32 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.419 ' HA3' ' CE1' ' A' ' 65' ' ' PHE . . . -92.25 172.5 34.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.518 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.9 m -149.45 143.61 18.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.823 0.344 . . . . 0.0 111.222 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 mt -99.98 121.27 41.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.678 HG11 ' CD2' ' A' ' 21' ' ' LEU . 5.5 m -141.91 158.93 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 20.1 mtt180 -98.72 149.59 35.89 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.04 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.506 ' HA ' HG22 ' A' ' 80' ' ' VAL . 89.0 Cg_exo -46.37 -55.87 3.39 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.444 2.096 . . . . 0.0 111.12 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.79 -23.72 45.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.735 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -87.42 -11.54 48.85 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.404 179.005 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.846 HG12 HD23 ' A' ' 21' ' ' LEU . 30.1 m -124.81 -179.98 2.67 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 CA-C-O 120.903 0.382 . . . . 0.0 111.143 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.1 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.879 0.371 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.408 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 22.2 p-80 -140.95 -172.94 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -85.17 131.68 34.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.02 42.63 7.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.408 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -117.82 179.47 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.891 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -124.67 151.64 44.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.4 m -155.92 178.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.6 tp -135.28 132.81 38.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.602 HD23 HG12 ' A' ' 80' ' ' VAL . 75.3 mt -73.67 145.31 45.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -98.88 31.24 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.1 m -147.38 -47.53 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.71 -21.78 23.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.014 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.45 35.47 5.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.935 0.398 . . . . 0.0 110.795 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -128.11 136.54 51.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 59.8 mtp -71.46 157.34 38.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.867 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -151.7 168.99 23.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.7 m -111.65 140.69 46.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.93 123.89 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -116.75 -40.39 3.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -125.69 151.06 47.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.987 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.48 100.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.46 -163.62 37.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.542 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 -169.92 0.36 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.624 2.216 . . . . 0.0 112.235 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.644 HG22 ' CE1' ' A' ' 64' ' ' TYR . 6.0 p -141.51 -179.88 6.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -109.55 31.4 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.51 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 52.7 p90 -151.5 -46.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.987 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.452 ' N ' ' CD1' ' A' ' 38' ' ' PHE . . . -101.46 174.33 6.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.7 p -118.93 119.81 35.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.5 -149.55 19.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.448 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 43' ' ' TRP . 4.8 mt -103.15 156.83 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.465 ' N ' HG22 ' A' ' 42' ' ' ILE . 90.3 m95 -155.71 167.37 30.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mt -139.0 107.83 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.97 78.37 0.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.548 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.867 HD13 ' HB3' ' A' ' 28' ' ' ALA . 22.5 mt -66.39 165.7 13.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.25 105.8 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mt -74.69 167.9 20.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.9 -31.48 20.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.95 -169.15 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.1 93.74 7.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -148.39 37.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -130.43 -165.87 11.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.522 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -138.53 31.3 2.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.866 0.365 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -142.64 157.17 44.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -114.6 33.06 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.7 -28.49 14.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.414 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . . . -136.62 143.21 43.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 111.132 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.536 HG21 HD12 ' A' ' 74' ' ' LEU . 21.5 t -121.04 109.23 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.69 -128.14 8.3 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -104.44 30.03 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.48 155.43 43.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.414 ' HG3' ' HB2' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -109.16 172.52 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.644 ' CE1' HG22 ' A' ' 36' ' ' THR . 86.7 m-85 -154.41 -47.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.416 ' CE2' ' HA3' ' A' ' 72' ' ' GLY . 12.3 p90 -149.58 -178.49 6.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -126.68 126.68 43.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.3 p -164.75 -174.89 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -88.8 172.04 8.18 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -51.76 116.14 2.56 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.619 2.212 . . . . 0.0 112.283 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 60.82 61.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -119.91 -44.1 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.416 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -96.58 169.68 26.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.5 m -140.83 155.55 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.536 HD12 HG21 ' A' ' 59' ' ' VAL . 2.1 mt -106.23 123.06 47.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.435 HG11 HD22 ' A' ' 21' ' ' LEU . 4.2 m -151.3 172.09 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' ARG . 36.0 mtm105 -109.96 158.17 35.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.414 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 85.5 Cg_exo -45.72 -52.55 6.7 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.625 2.217 . . . . 0.0 111.352 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -55.56 -22.72 23.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.812 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -93.74 -8.75 39.81 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.903 179.324 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.602 HG12 HD23 ' A' ' 21' ' ' LEU . 28.4 m -132.81 124.46 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 CA-C-O 120.979 0.419 . . . . 0.0 111.46 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.48 ' O ' HG11 ' A' ' 33' ' ' VAL . 75.4 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.797 0.332 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -99.74 -176.53 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -75.59 107.75 7.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.99 44.18 0.64 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.557 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.5 m -122.55 172.45 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -121.35 125.75 47.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 m -138.09 149.95 24.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.122 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 27' ' ' MET . 6.6 tp -113.7 146.92 39.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.52 HD23 HG12 ' A' ' 80' ' ' VAL . 7.9 mt -93.21 119.0 31.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.1 p -61.44 -30.54 70.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.52 -65.99 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -28.8 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.2 t30 63.49 39.17 9.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -139.23 138.73 37.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.424 ' N ' HD12 ' A' ' 20' ' ' LEU . 34.0 mtp -68.32 157.21 36.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.521 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -156.64 148.92 23.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.056 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -96.33 136.34 36.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.96 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.51 123.31 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.125 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -110.79 -48.29 3.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -120.07 138.36 53.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.48 HG11 ' O ' ' A' ' 13' ' ' LEU . 21.6 t -140.59 113.18 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.12 -179.37 34.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.13 157.44 6.31 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.671 2.247 . . . . 0.0 112.288 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.2 p -119.42 -177.67 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -107.72 -50.7 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.1 p90 -70.61 -42.03 71.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.34 -179.15 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.07 113.59 12.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.06 -135.97 8.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.1 mt -120.53 124.57 72.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 111.162 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -127.91 170.12 13.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.472 HD23 HG13 ' A' ' 33' ' ' VAL . 3.3 mt -133.27 122.65 24.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.03 74.87 1.96 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.521 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 90.4 mt -66.82 156.94 34.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.805 0.336 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -138.63 99.92 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 71' ' ' TYR . 6.8 mt -74.37 174.06 9.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -98.37 -27.8 13.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -103.65 174.7 5.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.762 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . . . -93.05 73.92 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mmtm -133.87 33.75 3.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.69 -164.32 18.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.401 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.37 31.92 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -147.66 169.43 19.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -119.41 32.24 6.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' A' ' 65' ' ' PHE . . . 100.61 -33.18 6.58 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.537 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.08 158.69 43.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.26 117.01 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.12 -132.43 11.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.492 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.22 30.08 6.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 110.994 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -139.41 154.91 47.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.41 139.01 49.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -120.34 -42.66 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.411 ' CD1' ' HA2' ' A' ' 57' ' ' GLY . 18.2 p90 -155.4 176.48 12.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.96 111.99 13.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.1 p -148.75 -176.41 5.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -76.37 164.34 60.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.82 122.74 11.54 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.572 2.181 . . . . 0.0 112.301 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 59.38 65.09 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.762 ' CE1' ' HB2' ' A' ' 51' ' ' ALA . 3.5 m-85 -127.73 -53.7 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.36 164.9 36.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.0 m -146.73 123.09 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.86 114.87 22.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.5 m -131.28 168.58 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -98.78 154.18 37.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.618 ' HA ' HG22 ' A' ' 80' ' ' VAL . 82.3 Cg_exo -45.59 -53.44 5.56 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.456 2.104 . . . . 0.0 111.352 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -56.19 -23.58 36.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.815 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' ARG . 1.2 mmp_? -89.11 -9.63 50.34 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.63 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.618 HG22 ' HA ' ' A' ' 77' ' ' PRO . 34.8 m -125.09 174.11 9.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 CA-C-O 120.86 0.362 . . . . 0.0 111.271 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.8 160.79 37.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -59.96 137.3 58.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.99 -28.13 17.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.56 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 m -65.72 173.01 3.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.474 ' O ' HG13 ' A' ' 19' ' ' VAL . 10.0 mm100 -116.69 165.04 13.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.474 HG13 ' O ' ' A' ' 18' ' ' GLN . 15.2 m -157.63 176.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.239 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.8 tp -143.33 135.26 26.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.49 145.6 30.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.62 30.64 3.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -134.45 -47.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -99.0 -19.44 17.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t30 67.3 38.93 3.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -124.74 133.94 52.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.4 mmm -65.9 152.87 43.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.522 ' CB ' HD13 ' A' ' 46' ' ' LEU . . . -149.74 146.15 27.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.3 m -95.93 140.93 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.045 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -87.47 117.47 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.152 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -104.91 -31.06 9.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -139.93 154.21 47.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.726 HG13 HD23 ' A' ' 44' ' ' LEU . 22.0 t -148.55 100.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.09 174.15 46.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.11 142.75 47.17 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.532 2.154 . . . . 0.0 112.259 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.5 p -93.95 -178.63 4.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -108.03 -33.07 7.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 39' ' ' ALA . 53.4 p90 -79.22 -41.52 28.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' N ' ' CD1' ' A' ' 38' ' ' PHE . . . -95.04 -175.26 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.7 m -131.91 104.73 7.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.31 -137.17 7.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.512 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.3 mt -127.02 133.83 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -134.16 159.34 41.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.726 HD23 HG13 ' A' ' 33' ' ' VAL . 1.8 mt -116.65 109.11 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.59 85.85 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.516 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.522 HD13 ' CB ' ' A' ' 28' ' ' ALA . 93.3 mt -72.52 166.64 22.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -148.03 111.88 5.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 71' ' ' TYR . 3.1 mt -93.98 156.1 16.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.55 32.53 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.4 t -160.84 151.14 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.15 75.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -136.26 34.35 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.42 -148.64 5.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.53 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -145.83 -47.39 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -60.22 152.57 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -111.3 33.1 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.419 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 99.65 -38.29 3.17 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -130.29 146.05 51.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 111.047 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.0 t -127.85 139.92 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.7 -129.46 48.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -110.02 30.07 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -137.93 176.32 8.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.4 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -130.14 161.53 30.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 63' ' ' ARG . 42.7 m-85 -145.99 -49.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 13.7 p90 -145.93 -178.08 5.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.31 116.89 11.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.9 p -156.74 175.69 13.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -60.93 161.43 15.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -56.77 123.27 13.46 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.624 2.216 . . . . 0.0 112.276 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 61.7 61.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.605 ' O ' HD12 ' A' ' 48' ' ' LEU . 4.0 m-85 -133.65 -46.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.417 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -90.84 159.76 26.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 46' ' ' LEU . 21.9 m -139.2 176.37 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.174 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mp -144.21 129.24 18.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 m -141.69 179.63 2.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.087 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' ARG . 73.0 mtp85 -98.84 153.27 37.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.072 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.504 ' HA ' HG22 ' A' ' 80' ' ' VAL . 82.6 Cg_exo -45.79 -56.26 2.97 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.489 2.126 . . . . 0.0 111.35 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 p -55.87 -23.8 33.23 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.612 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -85.07 -13.26 50.93 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.566 179.043 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.628 HG21 ' CD1' ' A' ' 44' ' ' LEU . 16.6 m -119.24 134.47 62.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 CA-C-O 120.875 0.369 . . . . 0.0 111.368 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.859 0.362 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.08 170.82 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.86 126.24 30.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.987 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.49 34.08 6.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.4 m -104.6 177.82 4.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -127.66 118.04 23.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.31 156.23 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.559 HD12 ' C ' ' A' ' 26' ' ' GLU . 21.3 tp -116.99 150.43 38.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.7 mt -92.94 128.48 38.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.9 p -88.28 58.1 4.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -164.51 -57.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 m -97.71 -14.6 20.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.245 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m120 65.17 77.18 0.31 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.559 ' C ' HD12 ' A' ' 20' ' ' LEU . 4.1 mm-40 -155.03 133.74 12.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.801 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.1 mtt -80.44 150.46 29.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.97 148.01 27.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.2 m -92.16 139.08 30.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.032 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.0 128.18 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.146 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -107.29 -39.17 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -133.0 150.37 52.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.459 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.6 t -144.52 116.13 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.97 171.84 26.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.17 166.46 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.582 2.188 . . . . 0.0 112.307 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.484 HG22 ' CE1' ' A' ' 64' ' ' TYR . 48.4 p -123.66 175.96 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -103.43 -40.73 6.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -69.46 -44.19 71.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -119.83 174.12 6.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.084 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.13 174.69 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.03 -139.52 15.78 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.6 mp -135.6 126.57 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.06 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -122.08 172.5 8.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.459 ' CD2' HG13 ' A' ' 33' ' ' VAL . 8.3 mt -133.63 129.81 37.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.73 77.26 2.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.619 HD11 ' CG2' ' A' ' 75' ' ' VAL . 29.2 mt -66.52 159.9 26.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.333 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -142.88 120.21 11.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.563 HD12 ' O ' ' A' ' 71' ' ' TYR . 16.3 mt -100.46 169.08 9.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -107.92 31.58 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.444 ' CA ' ' CE2' ' A' ' 71' ' ' TYR . 73.3 p -162.23 158.06 23.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.765 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . . . -82.77 74.46 9.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -142.03 31.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.76 -135.22 6.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.555 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.0 -50.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.464 ' ND2' HD12 ' A' ' 74' ' ' LEU . 6.7 m-20 -80.95 171.05 15.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -107.71 -32.1 7.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.422 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 164.83 -29.94 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.504 ' HB2' ' CB ' ' A' ' 63' ' ' ARG . . . -139.9 160.4 39.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.807 0.337 . . . . 0.0 111.125 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.63 117.63 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.21 -126.67 8.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.436 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.74 29.99 5.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.24 148.38 18.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.504 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -118.09 150.9 38.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.962 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.484 ' CE1' HG22 ' A' ' 36' ' ' THR . 66.1 m-85 -114.11 -19.71 11.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.229 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.422 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 8.8 p90 -160.39 174.38 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.946 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.33 112.35 12.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.12 -174.8 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' CB ' ' HD2' ' A' ' 69' ' ' PRO . 10.4 mttt -70.55 167.32 27.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.401 ' HD2' ' CB ' ' A' ' 68' ' ' LYS . 37.9 Cg_endo -66.47 127.45 17.33 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.448 2.099 . . . . 0.0 112.23 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.3 m120 64.22 45.23 4.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.765 ' CE1' ' HB2' ' A' ' 51' ' ' ALA . 4.0 m-85 -116.5 -45.23 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.68 176.8 30.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.6 m -150.75 169.72 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.184 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.464 HD12 ' ND2' ' A' ' 55' ' ' ASN . 8.1 mt -122.9 113.75 19.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.619 ' CG2' HD11 ' A' ' 46' ' ' LEU . 5.7 m -136.01 162.46 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -99.55 152.54 37.84 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.502 ' HA ' HG22 ' A' ' 80' ' ' VAL . 80.9 Cg_exo -45.19 -58.1 1.77 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.436 2.091 . . . . 0.0 111.355 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.27 -23.52 36.92 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.689 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.4 OUTLIER -85.26 -13.78 48.73 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.414 178.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 77' ' ' PRO . 21.8 m -120.26 169.36 11.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.065 0 CA-C-O 120.814 0.34 . . . . 0.0 111.176 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.502 HD22 HG21 ' A' ' 30' ' ' VAL . 1.7 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.809 0.338 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -165.56 36.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.597 ' HG2' HG23 ' A' ' 33' ' ' VAL . 26.4 mt-10 61.29 113.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.75 52.4 0.54 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -153.96 162.84 40.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -95.89 135.7 37.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.3 m -142.24 137.15 29.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.2 tp -96.87 156.45 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.511 HD23 HG12 ' A' ' 80' ' ' VAL . 41.2 mt -100.32 144.55 29.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.3 p -99.27 31.25 3.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.3 m -143.47 -47.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.42 -22.54 17.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.057 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.45 44.99 2.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.816 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -136.21 122.24 20.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.57 155.05 36.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.562 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -154.39 157.87 39.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.099 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 m -97.64 137.29 36.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.502 HG21 HD22 ' A' ' 13' ' ' LEU . 21.8 t -79.14 122.63 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.07 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -110.73 -31.31 7.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.984 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -141.03 136.09 31.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.976 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.597 HG23 ' HG2' ' A' ' 15' ' ' GLU . 25.6 t -132.51 128.16 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.23 -167.18 29.01 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.495 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.4 167.64 24.68 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.565 2.177 . . . . 0.0 112.273 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.0 p -130.17 155.22 46.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -80.14 -41.72 24.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.0 p90 -70.17 -40.43 74.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -111.9 -175.86 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.143 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.3 p -128.22 146.82 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.01 -129.67 9.92 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mt -126.83 143.35 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.848 0.356 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.401 ' CZ2' ' HB1' ' A' ' 39' ' ' ALA . 67.3 m95 -144.14 170.84 15.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.488 HD23 HG13 ' A' ' 33' ' ' VAL . 5.5 mt -135.03 116.82 15.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.43 75.56 1.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.61 156.37 36.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -138.86 107.11 5.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.562 HD23 ' HB2' ' A' ' 28' ' ' ALA . 6.0 mt -78.3 179.72 6.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.51 -31.57 11.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.4 m -111.11 -179.44 3.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.721 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . . . -96.15 103.47 15.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.56 30.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -118.88 -132.01 4.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -154.28 -46.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.629 ' OD1' HG22 ' A' ' 59' ' ' VAL . 25.0 m-80 -68.58 175.8 3.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -134.38 30.8 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.433 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 101.23 -54.7 0.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.489 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.61 149.17 28.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.754 0.312 . . . . 0.0 111.103 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.629 HG22 ' OD1' ' A' ' 55' ' ' ASN . 21.5 t -135.92 99.96 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.17 -121.19 5.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -109.26 30.05 6.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -140.94 175.65 9.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -135.02 166.09 23.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -150.95 -46.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.706 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.433 ' CD2' ' HA2' ' A' ' 57' ' ' GLY . 43.8 p90 -153.48 171.06 19.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 47.0 m -144.91 118.77 9.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 50.0 t -146.61 -70.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HB3' ' CD1' ' A' ' 71' ' ' TYR . 1.2 mtmm -174.26 169.76 1.8 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.13 119.82 7.3 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.65 2.233 . . . . 0.0 112.315 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 59.53 49.28 8.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.105 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.721 ' CE1' ' HB2' ' A' ' 51' ' ' ALA . 2.6 m-85 -114.1 -32.36 6.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.43 ' O ' HG13 ' A' ' 73' ' ' VAL . . . -111.18 -173.78 19.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.416 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 72' ' ' GLY . 15.4 m -156.65 162.65 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 111.123 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.73 107.08 12.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.01 162.71 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 14.1 mtt-85 -93.83 154.67 40.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.181 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.493 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 83.2 Cg_exo -46.13 -57.72 2.06 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.485 2.123 . . . . 0.0 111.266 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 p -56.34 -23.24 36.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.688 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 76' ' ' ARG . 11.9 mmt-85 -85.84 -12.55 50.51 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.454 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.511 HG12 HD23 ' A' ' 21' ' ' LEU . 15.6 m -119.95 130.91 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.064 0 CA-C-O 120.959 0.409 . . . . 0.0 111.268 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.921 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.807 0.337 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -145.37 -178.16 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -77.46 145.73 36.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.24 37.45 59.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.3 m -111.64 167.52 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -113.22 129.55 56.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.3 m -141.21 171.17 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.9 tp -134.93 145.61 48.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.473 HD13 ' HB2' ' A' ' 24' ' ' SER . 6.1 mt -90.66 122.34 33.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.7 p -66.03 -29.81 70.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.4 t -88.56 -65.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.473 ' HB2' HD13 ' A' ' 21' ' ' LEU . 1.3 m -59.35 -28.39 66.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t30 63.35 35.12 12.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -131.13 141.21 50.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.8 mmm -68.01 138.78 56.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.517 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -137.62 144.26 41.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.081 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.7 m -95.83 141.11 29.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -84.45 123.24 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.085 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -110.66 -31.01 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -147.08 153.03 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.601 HG13 ' CD2' ' A' ' 44' ' ' LEU . 22.0 t -147.67 109.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 175.04 -157.3 24.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.16 -170.69 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.567 2.178 . . . . 0.0 112.304 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.424 HG22 ' CZ ' ' A' ' 64' ' ' TYR . 1.1 p -146.49 152.67 39.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.96 40.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -159.27 -45.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.48 -25.74 14.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.235 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.4 m 61.85 89.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.54 -171.25 42.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.424 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.411 ' H ' HD12 ' A' ' 42' ' ' ILE . 3.7 mp -88.76 100.3 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 0.0 111.124 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.785 ' O ' HD23 ' A' ' 44' ' ' LEU . 78.3 m95 -113.96 175.64 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.785 HD23 ' O ' ' A' ' 43' ' ' TRP . 8.5 mt -142.05 103.94 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.78 89.17 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.551 HD12 HG23 ' A' ' 73' ' ' VAL . 74.6 mt -76.62 172.6 12.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.363 . . . . 0.0 111.02 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.66 113.87 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.3 mt -87.06 178.95 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.84 30.07 6.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.41 -173.58 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.36 74.82 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -136.93 31.27 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.23 -134.39 4.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.541 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.62 -46.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.585 ' OD1' HD12 ' A' ' 74' ' ' LEU . 2.4 m-80 -73.64 163.51 27.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -103.24 -30.23 10.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.87 -28.66 0.92 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.92 138.91 32.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.4 126.92 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.38 -126.97 8.09 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -109.37 30.12 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.734 0.302 . . . . 0.0 110.951 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -153.27 158.55 41.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -123.79 146.92 47.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.424 ' CZ ' HG22 ' A' ' 36' ' ' THR . 65.2 m-85 -112.14 -22.31 11.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.17 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -167.29 174.07 8.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.823 0.344 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -117.96 133.91 55.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.1 p -176.82 -176.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -86.93 171.06 10.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.03 124.19 15.66 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.512 2.142 . . . . 0.0 112.321 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 60.73 55.6 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.015 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' A' ' 68' ' ' LYS . 3.0 m-85 -116.16 -48.05 2.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.797 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.44 170.37 28.37 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.551 HG23 HD12 ' A' ' 46' ' ' LEU . 5.4 m -141.84 117.13 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.358 . . . . 0.0 111.174 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.585 HD12 ' OD1' ' A' ' 55' ' ' ASN . 2.9 mt -76.89 114.79 16.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.787 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.471 ' CG2' HD11 ' A' ' 46' ' ' LEU . 29.9 m -141.35 171.47 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.235 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 79' ' ' ARG . 39.8 mtp180 -106.6 159.09 31.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.488 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 79.6 Cg_exo -44.81 -54.4 4.21 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.537 2.158 . . . . 0.0 111.382 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.66 -23.27 27.21 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.822 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 76' ' ' ARG . 2.5 mmm180 -89.28 -11.53 43.24 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.684 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 6.3 m -123.92 125.24 70.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 CA-C-O 120.989 0.423 . . . . 0.0 111.283 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.29 -175.09 3.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.803 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -91.89 140.68 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.6 32.15 62.09 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -108.4 176.03 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.352 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -117.95 149.38 41.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.7 m -145.86 178.46 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.1 tp -143.43 131.41 21.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.4 HD23 HG12 ' A' ' 80' ' ' VAL . 55.8 mt -76.61 138.75 40.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 t -101.81 30.88 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.3 p -119.48 -54.45 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -124.67 15.63 8.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.286 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 53.38 87.24 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.87 0.367 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -154.37 121.23 5.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 93.3 mtp -77.3 156.27 31.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.835 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -159.95 155.56 25.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.1 m -97.76 132.34 43.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.13 127.91 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.155 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -116.06 -39.96 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -127.87 147.49 50.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.989 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.585 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.6 t -144.1 105.45 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.216 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.54 170.06 24.63 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.482 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.28 145.17 36.47 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.605 2.204 . . . . 0.0 112.289 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.635 HG22 ' CE1' ' A' ' 64' ' ' TYR . 11.2 p -102.23 -179.41 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -98.23 -39.51 8.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -66.76 -36.26 82.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -131.14 169.95 15.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.56 161.82 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.85 -135.18 12.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.08 146.51 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 111.089 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.516 ' O ' HD23 ' A' ' 44' ' ' LEU . 85.0 m95 -145.42 175.76 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.774 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.585 ' CD2' HG13 ' A' ' 33' ' ' VAL . 17.0 mt -145.53 110.07 5.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.91 85.67 0.67 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.388 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.835 HD13 ' HB3' ' A' ' 28' ' ' ALA . 74.1 mt -74.22 168.53 19.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -149.5 128.19 12.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 71' ' ' TYR . 13.1 mt -100.33 178.51 4.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 30.51 7.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.412 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -173.61 -175.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.42 81.33 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -141.09 33.96 1.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.37 -170.38 12.11 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.458 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -41.61 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.752 0.31 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -87.95 150.3 23.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -80.05 -24.09 40.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.068 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.41 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 165.39 -29.81 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' A' ' 62' ' ' LYS . . . -134.67 165.81 24.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.86 0.362 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.79 109.15 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.05 -130.67 10.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.504 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -110.03 30.05 7.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.748 0.309 . . . . 0.0 110.998 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.503 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 4.6 tttt -128.74 178.44 6.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.08 143.73 50.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.635 ' CE1' HG22 ' A' ' 36' ' ' THR . 94.9 m-85 -135.39 -56.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.41 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 5.1 p90 -138.47 162.33 34.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.6 m -120.69 119.11 31.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.3 p -162.39 176.09 10.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.19 169.46 11.68 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.7 124.82 16.62 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.57 2.18 . . . . 0.0 112.281 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 61.36 54.71 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.52 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.4 m-85 -122.85 -44.24 2.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.408 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -97.17 164.99 22.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.8 m -147.82 148.34 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -107.1 128.76 54.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.457 HG21 ' CG1' ' A' ' 80' ' ' VAL . 17.7 m -143.9 179.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' ARG . 12.5 mtm180 -109.9 152.54 43.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.632 ' HA ' HG22 ' A' ' 80' ' ' VAL . 83.6 Cg_exo -45.4 -53.69 5.2 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.485 2.124 . . . . 0.0 111.339 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.83 -23.55 31.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.783 178.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 76' ' ' ARG . 16.0 mmm-85 -89.3 -10.29 47.36 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.631 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.632 HG22 ' HA ' ' A' ' 77' ' ' PRO . 34.7 m -122.77 167.11 16.73 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 CA-C-O 120.904 0.383 . . . . 0.0 111.344 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.897 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.788 0.327 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -106.49 159.77 15.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -71.06 134.96 47.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.31 37.2 70.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.538 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -103.04 168.78 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -106.52 125.91 51.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.498 HG21 HD21 ' A' ' 46' ' ' LEU . 22.2 m -128.98 142.24 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.8 tp -104.08 145.24 30.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.08 139.1 31.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 t -98.73 31.47 2.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.26 -47.91 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 m -131.75 10.68 4.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.313 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 54.7 83.99 0.07 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.81 0.338 . . . . 0.0 110.995 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.62 120.86 9.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 60.8 mmm -70.62 150.72 45.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.39 -179.94 7.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.3 m -126.98 125.85 42.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.431 ' HA ' HD23 ' A' ' 46' ' ' LEU . 21.6 t -77.11 124.51 35.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.182 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -111.54 -33.85 6.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -143.65 141.18 30.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.678 HG13 ' CD2' ' A' ' 44' ' ' LEU . 27.8 t -133.21 112.93 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.65 -172.59 40.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.43 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.06 175.85 7.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.626 2.217 . . . . 0.0 112.286 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.511 HG23 ' CD1' ' A' ' 43' ' ' TRP . 69.3 p -127.83 176.46 7.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -102.97 -31.26 10.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.571 ' CE2' HG11 ' A' ' 59' ' ' VAL . 52.9 p90 -78.28 -31.22 48.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -125.55 179.3 5.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.1 m -125.69 88.46 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.83 176.53 43.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mp -83.35 111.97 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 111.153 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.744 ' O ' HD23 ' A' ' 44' ' ' LEU . 85.0 m95 -115.17 179.64 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.744 HD23 ' O ' ' A' ' 43' ' ' TRP . 19.1 mt -145.27 125.28 13.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.7 80.2 1.59 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.527 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.498 HD21 HG21 ' A' ' 19' ' ' VAL . 85.1 mt -79.75 167.65 20.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.995 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -151.48 107.67 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.3 mt -73.31 165.7 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -100.67 32.23 3.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.06 173.54 1.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.8 97.0 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.04 30.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.38 179.81 16.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -110.6 -36.07 5.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -79.09 -179.38 6.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -133.2 29.97 3.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.427 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 95.41 -37.05 3.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.578 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -111.91 130.58 55.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.571 HG11 ' CE2' ' A' ' 38' ' ' PHE . 20.7 t -112.03 105.43 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.95 -113.08 4.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.0 24.34 13.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.754 0.312 . . . . 0.0 111.003 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -160.03 137.91 9.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.91 148.68 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -115.21 -10.72 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.337 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.427 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 21.2 p90 -162.94 158.82 22.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 m -110.05 137.45 47.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.831 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.2 p -176.7 178.54 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -80.47 169.22 20.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.4 122.98 12.19 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.612 2.208 . . . . 0.0 112.258 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 61.08 64.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -125.15 -61.04 1.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -93.37 161.3 25.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.444 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.5 m -134.04 179.54 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.353 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mp -130.89 120.49 23.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.469 HG22 HD12 ' A' ' 46' ' ' LEU . 4.6 m -139.46 171.05 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.052 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 79' ' ' ARG . 1.3 mtt180 -99.81 151.06 37.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.412 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 88.4 Cg_exo -45.93 -50.66 9.44 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.441 2.094 . . . . 0.0 111.346 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.46 -23.12 23.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.708 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.9 OUTLIER -91.33 -10.41 41.39 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.863 179.262 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 11.9 m -131.21 125.08 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 121.061 0.457 . . . . 0.0 111.594 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.1 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.845 179.83 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.532 ' CD1' HG11 ' A' ' 19' ' ' VAL . 46.7 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.782 0.325 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -101.99 175.42 5.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -77.6 114.14 16.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.12 36.03 1.55 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.406 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -122.54 173.62 7.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -122.66 135.78 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.532 HG11 ' CD1' ' A' ' 13' ' ' LEU . 28.4 m -137.83 143.2 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 tp -112.87 127.65 56.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.4 mt -67.68 145.01 55.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 t -99.0 31.08 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.3 m -141.66 -47.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.66 -21.81 17.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.054 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 67.37 42.62 2.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.876 0.369 . . . . 0.0 110.806 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -128.77 121.99 29.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 30.6 mtp -68.03 144.73 55.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.24 146.09 38.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.6 m -89.66 139.67 30.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.23 134.04 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.106 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -120.01 -45.89 2.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -131.54 145.62 51.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.638 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.4 t -145.52 100.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 177.6 -163.13 31.39 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.03 -174.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.602 2.201 . . . . 0.0 112.322 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.558 HG21 ' CD1' ' A' ' 43' ' ' TRP . 0.8 OUTLIER -147.73 171.83 15.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.46 -56.67 2.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.698 ' CD1' HG11 ' A' ' 59' ' ' VAL . 49.1 p90 -61.14 -35.75 77.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.09 -170.57 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.91 -177.34 3.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.7 -139.36 20.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.7 mt -131.26 134.54 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.897 0.38 . . . . 0.0 111.086 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.558 ' CD1' HG21 ' A' ' 36' ' ' THR . 84.1 m95 -131.49 166.84 20.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.638 ' CD2' HG13 ' A' ' 33' ' ' VAL . 25.2 mt -123.9 117.42 24.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.35 78.0 0.58 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.59 160.29 31.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.329 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -145.69 103.54 3.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.8 mt -80.62 163.97 23.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.24 30.95 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 p -170.63 154.37 4.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.79 86.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.066 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.03 31.91 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -122.89 -141.69 5.98 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -152.3 -47.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.547 ' OD1' HG22 ' A' ' 59' ' ' VAL . 58.7 m-80 -70.25 148.24 48.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -99.04 26.95 5.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.32 -42.19 2.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.23 112.27 22.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 111.196 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.698 HG11 ' CD1' ' A' ' 38' ' ' PHE . 21.5 t -98.07 106.58 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.5 -118.77 4.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.41 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -107.37 29.39 7.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.06 180.0 8.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.71 154.9 42.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -125.21 1.82 7.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.453 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -176.78 160.91 1.97 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -115.56 123.19 47.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.6 p -168.41 -177.28 3.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -80.88 168.77 22.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.34 120.98 8.17 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.468 2.112 . . . . 0.0 112.331 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 61.71 57.77 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 68' ' ' LYS . 4.0 m-85 -119.31 -48.18 2.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.799 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.09 173.04 32.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.497 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 m -152.56 158.91 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.45 124.75 51.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.821 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.426 HG21 ' CG1' ' A' ' 80' ' ' VAL . 3.8 m -135.31 179.48 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' ARG . 27.5 mtp85 -111.48 145.74 33.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.982 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.632 ' HA ' HG22 ' A' ' 80' ' ' VAL . 83.8 Cg_exo -45.6 -56.35 2.87 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.375 2.05 . . . . 0.0 111.315 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.5 t -56.15 -22.97 31.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.842 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 76' ' ' ARG . 52.7 mmm-85 -91.01 -8.84 47.98 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.666 179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.632 HG22 ' HA ' ' A' ' 77' ' ' PRO . 35.0 m -123.01 167.0 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.075 0 CA-C-O 120.886 0.374 . . . . 0.0 111.131 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.003 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -110.31 146.64 35.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.03 139.33 58.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.86 28.81 22.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.525 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.99 179.15 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.348 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -119.29 121.98 40.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.7 m -119.23 154.4 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.2 tp -117.62 130.29 56.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -72.81 144.64 47.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.48 31.67 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.0 m -151.13 -47.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -87.4 -20.43 26.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 62.96 45.34 5.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 110.826 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.93 137.83 38.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.806 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.6 mtp -76.93 136.8 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.461 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -129.52 145.4 51.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.056 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.6 m -88.85 132.06 34.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.96 129.21 37.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.095 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -116.55 -39.1 3.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -130.55 150.13 51.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.721 HG13 ' CD2' ' A' ' 44' ' ' LEU . 22.1 t -150.12 104.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.052 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.19 -179.16 39.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.582 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.12 155.92 8.29 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.631 2.221 . . . . 0.0 112.359 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.556 HG22 ' CE2' ' A' ' 64' ' ' TYR . 70.5 p -122.02 -178.71 3.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.36 -45.29 3.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -63.96 -38.75 92.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.5 170.73 9.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.7 p -112.5 111.64 22.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.7 -162.87 28.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.9 mp -108.0 106.7 21.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.686 ' O ' HD23 ' A' ' 44' ' ' LEU . 49.2 m95 -110.59 173.42 6.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.73 HD12 HG21 ' A' ' 80' ' ' VAL . 13.3 mt -132.38 121.5 23.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.66 78.79 0.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.392 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.461 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 39.2 mt -73.35 171.25 13.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.995 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.74 132.85 14.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 71' ' ' TYR . 14.2 mt -105.06 172.27 6.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -108.82 31.22 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.6 p -168.66 170.44 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.54 90.46 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -154.3 36.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.14 -162.84 11.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.538 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.21 -51.25 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.735 0.302 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -77.98 147.54 34.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -98.66 31.42 2.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.415 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 100.61 -28.33 16.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.451 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.37 137.79 52.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.802 0.334 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.83 100.15 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.08 -116.62 4.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.421 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.93 30.01 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -159.97 157.59 29.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.24 149.22 52.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.556 ' CE2' HG22 ' A' ' 36' ' ' THR . 4.4 m-85 -118.0 -6.23 10.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.387 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CE2' ' HA3' ' A' ' 72' ' ' GLY . 14.9 p90 -170.96 163.56 7.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.93 129.23 56.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.8 p -173.8 -178.9 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.47 167.19 38.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.3 122.27 11.2 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.564 2.176 . . . . 0.0 112.282 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 62.28 62.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.504 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.6 m-85 -125.78 -52.11 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.419 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -91.32 177.8 41.21 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.0 m -150.5 165.75 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 0.0 111.235 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.0 119.56 25.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.487 HG21 ' CG1' ' A' ' 80' ' ' VAL . 5.5 m -137.27 179.89 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.076 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 79' ' ' ARG . 27.6 mtm105 -109.56 156.36 39.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -45.32 -51.26 8.07 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.524 2.149 . . . . 0.0 111.374 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 m -55.33 -22.98 21.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.785 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 76' ' ' ARG . 5.2 mtt180 -93.84 -10.1 35.15 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.961 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.73 HG21 HD12 ' A' ' 44' ' ' LEU . 12.6 m -133.64 124.88 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-O 121.061 0.457 . . . . 0.0 111.544 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.843 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.803 0.335 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -132.79 156.98 46.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -66.68 108.71 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.0 29.72 4.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.65 163.93 14.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -112.42 108.59 17.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -119.39 167.63 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.451 HD12 ' C ' ' A' ' 26' ' ' GLU . 10.2 tp -132.38 137.02 47.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 mt -72.79 152.3 41.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -106.65 32.68 4.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 m -143.22 -47.57 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.816 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.7 m -94.98 -19.15 20.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.1 t30 67.43 37.87 3.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.827 0.346 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' C ' HD12 ' A' ' 20' ' ' LEU . 4.0 mm-40 -125.76 134.29 51.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.43 ' N ' HD12 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -78.02 158.65 29.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.57 149.53 23.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.6 m -86.65 142.59 28.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.12 134.48 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -116.94 -40.04 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -138.57 153.88 48.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.488 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.6 t -147.48 127.64 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.0 178.79 17.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.33 170.39 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.566 2.177 . . . . 0.0 112.256 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.425 ' OG1' ' HB3' ' A' ' 39' ' ' ALA . 40.8 p -121.92 -172.93 2.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.26 -31.04 9.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 39' ' ' ALA . 15.1 p90 -91.01 -31.45 16.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.444 ' N ' ' CD1' ' A' ' 38' ' ' PHE . . . -106.67 178.33 4.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.5 59.49 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.77 -128.99 1.3 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.7 mp -141.11 116.15 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 111.189 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -123.71 169.62 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.529 ' CD1' HG21 ' A' ' 80' ' ' VAL . 18.6 mt -125.71 126.64 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.36 85.7 1.33 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.541 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.3 mt -79.3 164.26 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -148.89 110.39 4.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 71' ' ' TYR . 25.9 mt -80.15 -179.97 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -97.28 -33.91 11.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.934 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.8 p -115.74 177.49 4.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.753 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . . . -77.97 89.23 4.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.99 48.38 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.33 -161.27 8.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.66 31.73 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.805 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -133.01 178.1 7.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -134.46 31.18 3.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.415 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 91.35 -51.37 3.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -130.69 164.84 24.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 111.133 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -151.97 123.18 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.1 -134.39 12.45 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -108.56 30.08 6.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -144.59 170.25 16.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.17 151.5 42.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.432 ' HB2' ' CD1' ' A' ' 65' ' ' PHE . 23.5 m-85 -130.77 -48.28 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 64' ' ' TYR . 8.3 p90 -152.72 166.3 32.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.85 117.9 29.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.3 p -156.3 -177.11 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -81.35 163.0 56.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.19 117.94 4.09 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.488 2.125 . . . . 0.0 112.314 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 62.59 61.26 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.753 ' CE1' ' HB2' ' A' ' 51' ' ' ALA . 4.8 m-85 -128.24 -47.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -87.75 175.61 45.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 m -148.95 146.94 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 111.167 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.75 113.3 25.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.1 m -127.85 167.84 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -97.58 154.37 37.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.006 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.607 ' HA ' HG22 ' A' ' 80' ' ' VAL . 88.2 Cg_exo -46.2 -53.01 6.38 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.432 2.088 . . . . 0.0 111.21 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 p -56.05 -23.56 34.14 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.783 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' ARG . 26.3 mmt85 -87.91 -11.32 47.97 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.517 179.148 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.607 HG22 ' HA ' ' A' ' 77' ' ' PRO . 35.7 m -122.53 169.88 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.066 0 CA-C-O 120.9 0.381 . . . . 0.0 111.181 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.802 0.334 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -132.6 47.54 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 60.9 113.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.22 39.91 1.0 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 m -138.33 169.51 17.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.791 0.329 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -105.75 137.47 43.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.608 HG21 HD21 ' A' ' 46' ' ' LEU . 17.2 m -143.98 149.21 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 26' ' ' GLU . 8.5 tp -115.83 142.76 46.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.6 mt -81.64 146.93 29.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.793 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.1 p -83.9 -24.47 30.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 m -93.1 -73.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -58.1 -26.56 62.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.96 38.05 8.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.754 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.51 ' C ' HD12 ' A' ' 20' ' ' LEU . 1.3 mm-40 -123.88 143.15 50.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.0 mtp -75.76 148.96 38.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.699 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -148.0 146.83 29.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 m -90.42 137.24 32.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.64 114.21 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -108.04 -30.48 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -146.26 138.29 25.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.5 134.55 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.48 178.26 16.42 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.98 173.03 11.76 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.587 2.192 . . . . 0.0 112.288 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.3 p -122.64 168.5 12.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -31.53 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' A' ' 39' ' ' ALA . 55.6 p90 -81.9 -46.72 13.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.422 ' N ' ' CD2' ' A' ' 38' ' ' PHE . . . -111.57 155.63 23.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.56 143.26 33.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.81 -131.09 6.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.433 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.9 mt -135.36 125.8 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -131.12 140.94 50.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.703 HD11 ' N ' ' A' ' 77' ' ' PRO . 0.6 OUTLIER -113.63 106.62 14.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.42 77.87 0.13 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.699 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 43.8 mt -70.88 166.98 19.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -147.2 120.11 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.6 mt -95.45 162.68 13.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.8 -32.94 35.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.3 p -114.0 172.75 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.83 106.74 5.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -155.63 31.37 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -131.71 -170.99 12.73 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -138.43 31.19 2.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.859 0.362 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -145.76 149.69 34.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -98.42 30.75 3.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.439 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 66.81 26.27 73.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.54 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -160.05 135.76 8.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.0 107.87 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.88 -138.07 16.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -98.77 30.06 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.68 169.52 17.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -130.33 161.91 30.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -132.48 -56.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.439 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 11.7 p90 -136.68 168.51 19.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.7 m -121.54 125.75 47.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.1 p -166.95 -179.31 4.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -73.51 164.73 58.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.986 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.44 121.71 10.42 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.527 2.151 . . . . 0.0 112.278 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 60.98 56.73 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.42 ' CD2' ' HB2' ' A' ' 68' ' ' LYS . 3.6 m-85 -120.08 -43.63 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.71 174.18 27.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.5 m -140.95 162.63 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.827 0.346 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.1 mt -122.44 105.1 9.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.485 ' O ' HD12 ' A' ' 44' ' ' LEU . 5.3 m -127.63 176.64 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -106.28 153.77 40.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.995 -179.892 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.807 ' HA ' HG22 ' A' ' 80' ' ' VAL . 85.7 Cg_exo -46.78 -52.04 8.2 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.368 2.045 . . . . 0.0 111.194 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.0 m -56.0 -22.97 29.99 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.833 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' ARG . 1.6 mmp_? -92.15 -9.22 43.23 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.798 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.807 HG22 ' HA ' ' A' ' 77' ' ' PRO . 11.1 m -121.97 134.07 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 CA-C-O 120.942 0.401 . . . . 0.0 111.489 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.792 0.329 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -113.89 -66.78 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -178.2 152.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 59.61 28.89 65.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.499 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 m -99.94 168.05 10.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -109.04 148.84 30.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 m -151.68 175.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.498 HD11 ' C ' ' A' ' 25' ' ' ASN . 49.0 tp -137.4 131.8 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.5 mt -73.41 145.27 45.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 t -98.71 31.44 2.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -131.72 -46.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.4 m -113.53 -8.51 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.259 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.498 ' C ' HD11 ' A' ' 20' ' ' LEU . 13.7 m-20 63.1 35.02 13.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -106.7 131.27 54.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 33.0 mtp -71.91 149.53 45.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -148.85 149.96 32.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.6 m -97.47 133.08 42.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.06 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.01 115.09 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -99.16 -34.86 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.04 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -143.4 143.1 31.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.638 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.7 t -133.23 114.58 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.19 -169.34 40.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.24 179.84 3.66 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.609 2.206 . . . . 0.0 112.313 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.818 HG22 ' CE2' ' A' ' 64' ' ' TYR . 14.1 p -131.87 -178.56 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.78 -30.31 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.429 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 44.9 p90 -83.07 -33.22 26.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.934 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.15 -37.84 4.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.174 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.37 105.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.782 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.658 ' O ' HD13 ' A' ' 42' ' ' ILE . . . 168.08 -114.65 0.58 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.658 HD13 ' O ' ' A' ' 41' ' ' GLY . 24.3 mm -137.16 100.93 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 111.119 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.696 ' O ' HD23 ' A' ' 44' ' ' LEU . 59.1 m95 -126.7 179.98 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.696 HD23 ' O ' ' A' ' 43' ' ' TRP . 7.5 mt -143.39 127.13 17.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.09 91.92 1.14 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.529 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 74.8 mt -81.61 163.87 22.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -153.03 137.44 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.674 HD12 ' O ' ' A' ' 71' ' ' TYR . 9.1 mt -120.53 173.55 7.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.93 36.21 3.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.0 t -170.64 174.35 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.64 68.12 5.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.05 33.23 4.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.937 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.74 -161.4 8.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.547 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.18 42.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 0.0 110.829 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.422 ' OD1' HG22 ' A' ' 59' ' ' VAL . 5.1 m-20 -158.0 141.38 15.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -99.19 26.79 5.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.424 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 93.56 -41.86 2.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.59 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.98 137.62 42.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.619 HG21 HD11 ' A' ' 74' ' ' LEU . 22.8 t -127.11 117.88 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.071 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.66 -116.07 8.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -110.0 25.75 11.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.05 157.87 29.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.864 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 ptt-85 -126.84 145.04 50.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.983 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.818 ' CE2' HG22 ' A' ' 36' ' ' THR . 35.4 m-85 -112.25 -16.34 13.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.424 ' CD2' ' HA2' ' A' ' 57' ' ' GLY . 15.5 p90 -161.84 166.88 25.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.7 m -115.52 125.81 53.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.5 p -164.88 -174.82 3.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -90.02 170.32 10.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.89 119.72 7.06 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.502 2.135 . . . . 0.0 112.275 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 63.91 51.88 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.674 ' O ' HD12 ' A' ' 48' ' ' LEU . 8.5 m-85 -118.94 -41.95 2.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.77 169.86 19.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.8 m -143.3 158.12 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 111.113 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 59' ' ' VAL . 8.4 mt -112.71 124.0 51.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.2 m -150.0 161.88 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 79' ' ' ARG . 18.3 mtt180 -97.38 159.31 31.5 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.57 ' HA ' HG22 ' A' ' 80' ' ' VAL . 85.2 Cg_exo -44.6 -55.84 3.01 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.509 2.139 . . . . 0.0 111.449 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 m -55.75 -23.21 28.03 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.896 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.9 OUTLIER -89.58 -10.13 47.21 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.718 179.173 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.57 HG22 ' HA ' ' A' ' 77' ' ' PRO . 24.3 m -121.96 138.18 53.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 CA-C-O 120.967 0.413 . . . . 0.0 111.337 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.483 HD22 HD22 ' A' ' 44' ' ' LEU . 4.5 mp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.82 0.343 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -87.56 -175.99 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -82.32 120.3 25.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.49 50.6 2.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -120.77 164.63 16.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -107.33 120.44 42.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.452 HG11 ' CD2' ' A' ' 13' ' ' LEU . 20.8 m -130.75 164.03 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.2 tp -120.17 154.0 35.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.0 mt -99.53 142.82 30.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -98.64 28.81 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.2 m -134.06 -46.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.764 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.2 m -103.48 -20.08 14.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 t30 67.83 41.81 2.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.938 0.399 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -127.99 137.54 52.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.86 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.39 159.91 32.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.536 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -158.22 141.57 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m -87.9 133.82 33.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.01 124.66 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.152 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -111.12 -41.48 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -131.92 153.57 50.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.515 HG22 HD23 ' A' ' 44' ' ' LEU . 21.4 t -152.0 138.38 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.89 -155.36 21.2 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.6 173.77 10.34 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.551 2.167 . . . . 0.0 112.281 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.7 p -139.65 -178.54 5.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -119.41 31.57 6.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.412 ' CD2' ' N ' ' A' ' 39' ' ' ALA . 54.9 p90 -149.16 -46.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.412 ' N ' ' CD2' ' A' ' 38' ' ' PHE . . . -93.5 -27.31 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.92 35.66 10.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.804 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -139.4 -163.54 9.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.3 mt -96.27 104.61 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 111.07 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -125.9 167.52 15.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.515 HD23 HG22 ' A' ' 33' ' ' VAL . 1.4 mp -128.09 120.77 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.72 69.0 0.58 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.536 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 81.4 mt -62.06 155.48 23.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.818 0.342 . . . . 0.0 110.972 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.29 107.64 5.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.409 ' CD2' ' HB2' ' A' ' 28' ' ' ALA . 4.4 mt -85.29 160.17 19.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.93 36.95 1.47 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 m -170.15 148.29 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.78 97.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -162.1 35.48 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -124.92 -149.66 7.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.548 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -147.59 31.53 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.787 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -156.7 152.79 27.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -89.33 -31.57 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.418 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 159.33 -27.83 0.38 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.499 ' HB2' ' HD2' ' A' ' 63' ' ' ARG . . . -125.11 152.59 44.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.56 127.01 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.76 -127.69 36.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.9 29.93 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -143.29 154.98 44.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.499 ' HD2' ' HB2' ' A' ' 58' ' ' ALA . 1.3 tpp180 -107.4 159.83 16.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -139.83 -48.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.418 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 7.8 p90 -150.06 179.08 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 t -136.22 124.06 22.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.0 p -167.56 -178.06 3.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.55 173.42 3.45 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.21 119.77 7.21 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.579 2.186 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 61.69 50.35 4.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.021 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -108.86 -31.61 7.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.33 160.93 13.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.6 m -138.41 167.25 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 mp -125.62 115.71 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.492 ' O ' HD12 ' A' ' 44' ' ' LEU . 5.3 m -129.94 173.86 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.003 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 4.4 mtt180 -91.65 147.11 34.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.606 ' HA ' HG22 ' A' ' 80' ' ' VAL . 83.3 Cg_exo -46.18 -50.71 9.64 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.349 2.033 . . . . 0.0 111.144 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.2 p -56.19 -24.04 39.22 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.69 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 76' ' ' ARG . 14.6 mmm-85 -86.43 -11.4 51.98 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.517 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.606 HG22 ' HA ' ' A' ' 77' ' ' PRO . 28.9 m -122.04 164.22 19.32 Favored 'Isoleucine or valine' 0 C--N 1.338 0.07 0 CA-C-O 120.927 0.394 . . . . 0.0 111.178 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.467 HD13 HG21 ' A' ' 30' ' ' VAL . 21.2 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.816 0.341 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.06 34.6 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 60.52 110.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.9 34.79 1.21 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.89 168.62 17.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.354 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -100.46 145.58 28.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.1 m -147.27 167.46 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.0 tp -131.72 141.05 49.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.775 HD23 HG12 ' A' ' 80' ' ' VAL . 13.1 mt -89.73 149.48 22.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.44 31.3 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.8 m -138.64 -47.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -100.46 -16.21 17.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 m120 61.61 41.02 12.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.929 0.395 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -126.6 129.09 47.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.8 mtp -67.0 156.9 34.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.471 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -156.03 155.77 33.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.7 m -96.78 142.04 29.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.467 HG21 HD13 ' A' ' 13' ' ' LEU . 26.7 t -84.04 124.78 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.03 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -112.17 -35.11 5.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -140.53 153.63 46.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.772 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.9 t -145.05 121.65 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.93 -158.86 27.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.17 -175.87 1.4 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.565 2.177 . . . . 0.0 112.297 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.899 HG22 ' CZ ' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -133.37 177.38 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -96.36 -30.44 13.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -103.48 31.32 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -174.67 166.58 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.69 86.74 2.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.24 -137.14 2.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -123.14 136.8 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -146.68 168.83 20.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.772 ' CD2' HG13 ' A' ' 33' ' ' VAL . 7.7 mt -138.74 104.81 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.953 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.59 89.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' A' ' 28' ' ' ALA . 64.2 mt -76.89 175.58 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -157.11 113.98 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 71' ' ' TYR . 1.7 mt -88.24 175.26 7.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -92.72 -33.02 14.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.17 175.89 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.19 94.03 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.022 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -146.1 37.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.08 -170.98 12.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -129.22 31.21 4.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -136.22 153.92 51.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -112.92 30.06 7.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.416 ' HA2' ' CD1' ' A' ' 65' ' ' PHE . . . 91.57 -47.32 2.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.577 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.77 127.14 55.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.66 111.98 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.46 -122.32 12.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.78 29.98 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -158.58 175.32 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -148.51 144.8 27.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.899 ' CZ ' HG22 ' A' ' 36' ' ' THR . 42.4 m-85 -111.32 -18.89 12.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.416 ' CD1' ' HA2' ' A' ' 57' ' ' GLY . 16.4 p90 -159.35 156.25 28.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.97 102.27 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 p -144.64 -175.2 4.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.998 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -80.71 169.22 20.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.15 118.73 5.32 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.55 2.166 . . . . 0.0 112.275 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 62.01 52.58 3.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.055 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.662 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.7 m-85 -114.3 -36.26 4.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.781 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.79 175.05 16.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.52 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.8 m -146.6 163.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.312 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.621 HD11 ' CD1' ' A' ' 64' ' ' TYR . 1.6 mt -114.75 116.23 28.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.488 HG21 ' CG1' ' A' ' 80' ' ' VAL . 14.2 m -134.86 169.49 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.461 ' O ' HG22 ' A' ' 80' ' ' VAL . 16.9 mtm105 -103.08 153.67 38.16 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.037 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.483 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 81.3 Cg_exo -44.93 -54.98 3.7 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.518 2.145 . . . . 0.0 111.325 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.75 -23.36 28.92 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.844 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 76' ' ' ARG . 2.3 mmp_? -89.85 -10.3 45.84 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.61 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.775 HG12 HD23 ' A' ' 21' ' ' LEU . 5.5 m -124.54 125.27 69.89 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 CA-C-O 120.922 0.391 . . . . 0.0 111.303 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.863 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.03 112.1 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.5 31.99 20.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.18 77.92 1.21 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m -126.55 -62.05 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -131.67 113.29 13.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.71 15.99 7.74 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.697 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 56.11 176.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.798 0.332 . . . . 0.0 111.082 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.51 99.81 0.2 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -99.0 35.08 1.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 0.0 110.967 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -89.64 97.61 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -119.05 74.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.4 mt -145.2 120.52 10.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -126.21 -54.13 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -179.35 159.91 0.96 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.93 28.32 68.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.624 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 m -104.78 166.32 10.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.358 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -123.78 128.57 49.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.685 HG12 ' HB3' ' A' ' 82' ' ' TYR . 6.6 m -134.69 145.51 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.452 HD12 ' C ' ' A' ' 26' ' ' GLU . 21.0 tp -110.16 131.97 54.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.33 140.94 58.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -98.76 33.29 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.49 -47.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -94.8 -19.18 20.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.0 m120 63.01 55.81 1.91 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.02 0.438 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.452 ' C ' HD12 ' A' ' 20' ' ' LEU . 7.8 mm-40 -141.8 124.12 15.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.7 mtp -60.0 154.07 19.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -153.32 138.28 17.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.7 m -87.41 132.38 34.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.91 120.4 32.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.174 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -107.7 -50.27 3.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 33' ' ' VAL . 48.9 t80 -115.53 157.11 24.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.565 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.5 t -150.91 125.86 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.81 -176.0 21.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.12 154.72 66.03 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.501 2.134 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.5 p -108.14 172.46 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.02 -30.99 11.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.48 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 55.5 p90 -75.18 -31.2 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.78 170.71 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.2 p -108.71 90.8 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.3 175.16 28.91 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.3 mm -81.45 145.68 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.364 . . . . 0.0 111.069 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.44 ' HB3' HD22 ' A' ' 74' ' ' LEU . 85.4 m95 -142.34 175.09 10.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.565 ' CD2' HG13 ' A' ' 33' ' ' VAL . 17.5 mt -139.21 107.5 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.91 97.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.521 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.486 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 93.9 mt -91.56 157.73 16.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -144.61 116.4 8.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 71' ' ' TYR . 14.3 mt -93.81 166.69 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -98.36 35.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.0 t -175.9 174.38 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.37 86.13 7.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -143.65 35.96 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.81 -158.89 8.13 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.551 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -142.02 30.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -134.0 155.04 50.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -110.43 33.02 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.41 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 97.73 -44.5 1.83 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.462 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . . . -136.72 156.31 48.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.43 114.37 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.18 -130.78 10.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -106.87 30.05 6.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.02 129.56 27.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.462 ' HG3' ' HB2' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -96.73 129.97 44.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.453 ' HH ' ' HE1' ' A' ' 38' ' ' PHE . 47.6 m-85 -113.02 -31.31 6.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.412 ' HD2' ' HG ' ' A' ' 67' ' ' CYS . 15.2 p90 -171.22 179.8 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.8 t -133.83 119.02 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.412 ' HG ' ' HD2' ' A' ' 65' ' ' PHE . 22.1 p -161.5 173.45 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.443 ' CB ' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -61.35 167.47 4.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.94 124.51 15.87 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.668 2.245 . . . . 0.0 112.258 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.7 m120 61.78 51.28 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.067 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.471 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.4 m-85 -112.38 -50.22 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.38 171.67 31.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.449 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.6 m -143.11 163.02 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.76 0.314 . . . . 0.0 111.196 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.48 HD13 ' CZ ' ' A' ' 38' ' ' PHE . 7.3 mt -118.48 119.78 35.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.433 HG22 HD12 ' A' ' 46' ' ' LEU . 3.1 m -139.16 166.15 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -98.96 152.41 37.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.581 ' HA ' HG22 ' A' ' 80' ' ' VAL . 84.1 Cg_exo -45.87 -56.87 2.52 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.476 2.117 . . . . 0.0 111.277 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.53 -23.46 40.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.719 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -87.08 -11.77 49.2 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 179.015 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.581 HG22 ' HA ' ' A' ' 77' ' ' PRO . 27.4 m -121.73 170.28 12.04 Favored 'Isoleucine or valine' 0 C--O 1.23 0.078 0 CA-C-O 120.874 0.369 . . . . 0.0 111.24 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.07 167.24 23.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.961 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.685 ' HB3' HG12 ' A' ' 19' ' ' VAL . 2.4 p90 -171.18 142.45 1.77 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -65.57 177.01 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -163.0 -42.9 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.8 pt -57.32 166.28 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 p -105.75 -66.0 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.74 177.03 41.14 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.543 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.08 126.67 20.93 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.575 2.183 . . . . 0.0 112.319 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.9 p -69.95 -31.89 69.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 69.7 m -72.66 148.04 45.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.814 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.387 -1.23 . . . . 0.0 112.493 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 m 60.44 32.81 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.91 -47.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.88 110.03 1.17 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 t -89.79 99.39 12.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -173.32 132.85 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.01 -75.44 1.0 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.555 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -124.72 158.26 33.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.758 0.313 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.01 -56.68 0.41 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.31 130.81 50.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.1 t -127.81 133.08 68.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' O ' HG11 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -74.04 128.25 35.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.623 HD22 HD13 ' A' ' 44' ' ' LEU . 2.8 mp 60.02 -178.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -174.6 165.73 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.73 99.41 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.66 48.05 0.17 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.564 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 m -133.39 163.79 28.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 110.781 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -117.96 114.48 23.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.54 HG21 HD21 ' A' ' 46' ' ' LEU . 31.0 m -114.79 169.5 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.1 tp -138.55 149.25 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.84 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.667 HD23 HG12 ' A' ' 80' ' ' VAL . 44.1 mt -94.9 125.2 39.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t -68.87 -32.53 72.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.63 48.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.806 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.29 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.1 m120 62.56 49.58 3.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -131.71 106.62 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.2 mtp -59.97 148.32 35.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.493 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . . . -152.81 149.84 28.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.084 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.7 m -88.76 143.23 27.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.08 129.15 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.097 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -109.43 -41.81 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -130.47 150.58 51.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.602 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.5 t -139.21 108.21 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.92 -177.59 37.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.423 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.1 -178.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.582 2.188 . . . . 0.0 112.411 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.681 HG22 ' HE2' ' A' ' 64' ' ' TYR . 36.9 p -132.94 162.97 30.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -81.28 -36.13 30.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -85.18 -44.95 12.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.459 ' HB3' ' OG1' ' A' ' 36' ' ' THR . . . -101.27 178.35 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.2 t -137.46 96.56 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 172.39 -137.57 4.31 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.4 mt -117.94 105.84 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.342 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.408 ' CD2' ' HG2' ' A' ' 76' ' ' ARG . 58.8 m95 -126.19 159.72 32.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.623 HD13 HD22 ' A' ' 13' ' ' LEU . 10.3 mt -127.48 124.65 38.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.78 85.65 0.65 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.527 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.54 HD21 HG21 ' A' ' 19' ' ' VAL . 86.6 mt -72.57 166.5 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -146.02 100.96 3.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' CD2' ' HB2' ' A' ' 28' ' ' ALA . 17.9 mt -82.31 161.11 22.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.68 -31.01 15.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.3 t -91.45 167.23 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.77 80.22 4.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -151.01 33.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.822 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.08 -166.88 22.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -131.01 30.96 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -156.54 154.36 30.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.35 -32.86 10.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 159.52 -28.81 0.38 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.71 ' HB2' ' HD2' ' A' ' 63' ' ' ARG . . . -133.44 146.9 51.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 111.069 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.16 127.06 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.38 -130.95 26.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.79 30.0 6.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.46 155.91 41.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.71 ' HD2' ' HB2' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -109.48 160.87 15.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.681 ' HE2' HG22 ' A' ' 36' ' ' THR . 49.6 m-85 -132.2 -46.71 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -152.98 171.33 18.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.78 103.32 9.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.89 -174.4 4.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 166.01 38.01 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.5 127.76 26.71 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.617 2.211 . . . . 0.0 112.274 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m120 61.61 60.56 1.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.029 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -130.74 -57.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -85.52 161.53 35.43 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.7 m -135.73 155.13 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.048 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.518 HD21 ' CD2' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -113.95 116.58 29.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.509 HG21 ' CG1' ' A' ' 80' ' ' VAL . 5.5 m -133.43 175.46 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 79' ' ' ARG . 5.5 mtt180 -109.29 151.87 42.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.418 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 84.5 Cg_exo -45.51 -51.38 8.09 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.488 2.125 . . . . 0.0 111.304 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.3 m -55.49 -22.79 22.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.807 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 76' ' ' ARG . 5.3 mmt180 -95.41 -6.88 39.89 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.941 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.667 HG12 HD23 ' A' ' 21' ' ' LEU . 16.5 m -133.69 126.16 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-O 120.963 0.411 . . . . 0.0 111.651 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 46.7 m -120.8 130.37 53.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -118.34 162.0 19.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.037 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -121.25 -47.03 2.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.72 126.57 5.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.565 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 pt -81.78 -29.53 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.791 0.329 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.4 t -155.35 31.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -105.59 -141.27 10.53 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.437 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.06 155.28 70.16 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.438 2.092 . . . . 0.0 112.261 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.3 p -62.06 -58.02 9.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.33 -46.7 2.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.437 -1.202 . . . . 0.0 112.489 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -144.35 128.08 17.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.95 92.36 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.61 73.87 0.17 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m -99.23 36.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -63.07 -171.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.84 -43.19 1.24 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -110.4 148.2 32.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.44 -71.78 0.22 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.86 -175.6 2.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.354 . . . . 0.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.8 t 58.83 84.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -101.04 176.3 5.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.502 ' O ' HG11 ' A' ' 33' ' ' VAL . 25.6 mt -79.64 109.93 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.983 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -121.43 -57.68 1.82 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.08 133.34 6.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.819 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.76 53.25 28.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.44 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 30' ' ' VAL . 43.6 m -119.7 149.59 41.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -96.04 115.12 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.8 m -129.33 152.0 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.508 HD12 ' C ' ' A' ' 26' ' ' GLU . 21.7 tp -111.89 147.36 35.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.638 HD23 HG12 ' A' ' 80' ' ' VAL . 26.9 mt -91.46 135.72 33.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.797 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 79' ' ' ARG . 4.0 t -79.43 -25.97 41.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.6 p -93.89 -47.47 6.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.099 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.431 ' HB2' HD12 ' A' ' 21' ' ' LEU . 2.1 m -79.1 -29.64 43.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.051 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.8 t30 63.57 42.43 6.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.508 ' C ' HD12 ' A' ' 20' ' ' LEU . 3.3 mm-40 -142.14 133.37 26.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.42 ' HG2' HD13 ' A' ' 20' ' ' LEU . 6.8 mtp -66.18 158.46 28.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.488 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -159.12 165.58 33.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.6 m -102.81 132.54 48.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 17' ' ' SER . 21.7 t -81.69 127.17 39.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.135 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -112.87 -48.34 3.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -116.8 143.63 45.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.502 HG11 ' O ' ' A' ' 13' ' ' LEU . 21.6 t -147.61 111.36 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.61 -158.62 30.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.534 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.9 158.51 56.52 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.575 2.183 . . . . 0.0 112.344 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.4 p -117.62 177.65 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -110.86 -32.97 6.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -79.22 -31.83 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.21 -176.52 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 p -130.27 89.83 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.45 -160.85 33.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.399 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.2 mt -101.46 121.93 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.656 ' O ' HD23 ' A' ' 44' ' ' LEU . 56.8 m95 -130.61 177.56 7.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 43' ' ' TRP . 8.5 mt -140.89 135.75 31.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.37 85.56 1.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.532 ' CD1' HD21 ' A' ' 21' ' ' LEU . 78.8 mt -72.91 164.66 26.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.012 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.31 123.54 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 71' ' ' TYR . 2.7 mt -108.98 158.06 18.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -99.02 31.08 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.25 149.68 26.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.67 86.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -156.25 30.31 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.69 -158.54 16.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.545 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -144.9 31.9 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.825 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -164.82 164.99 20.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -98.82 -30.97 12.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.795 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.42 ' HA2' ' CE1' ' A' ' 65' ' ' PHE . . . 162.91 -29.07 0.25 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.596 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.58 155.75 37.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.653 HG21 ' CD1' ' A' ' 74' ' ' LEU . 21.5 t -142.37 100.34 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 -126.69 8.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -110.05 30.09 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.72 0.295 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -146.59 159.31 43.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.47 158.54 17.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -135.97 -58.2 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.42 ' CE1' ' HA2' ' A' ' 57' ' ' GLY . 19.0 p90 -140.83 179.91 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.04 101.99 4.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.9 p -145.33 -177.18 5.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 32.7 mtmt -74.12 167.93 31.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.31 122.77 12.09 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.498 2.132 . . . . 0.0 112.27 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 61.04 63.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.437 ' O ' HD12 ' A' ' 48' ' ' LEU . 4.0 m-85 -129.23 -45.43 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.37 152.78 17.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.9 m -128.96 175.16 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.653 ' CD1' HG21 ' A' ' 59' ' ' VAL . 5.4 mt -125.38 128.22 47.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.634 HG11 HD22 ' A' ' 21' ' ' LEU . 17.0 m -144.84 170.26 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' ARG . 23.2 mtm180 -107.78 154.4 40.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.487 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 80.4 Cg_exo -44.67 -55.52 3.25 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.577 2.185 . . . . 0.0 111.506 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -55.85 -23.44 30.8 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.688 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.698 ' O ' HG22 ' A' ' 22' ' ' THR . 4.8 mmm180 -87.6 -12.31 46.03 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.548 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.638 HG12 HD23 ' A' ' 21' ' ' LEU . 11.4 m -122.65 125.14 72.1 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.04 0 CA-C-O 120.965 0.412 . . . . 0.0 111.291 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 m -88.89 122.85 32.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -132.01 78.05 1.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -100.45 138.88 36.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -114.3 -132.01 5.32 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.432 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.4 mm 68.69 -67.59 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 111.201 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m 61.93 152.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.95 75.88 0.14 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.46 140.18 39.44 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.657 2.238 . . . . 0.0 112.273 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.3 p -130.07 137.58 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 m 60.42 81.0 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.456 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.48 156.78 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 p -152.77 137.84 17.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.6 -71.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.29 169.71 8.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.302 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -102.67 86.25 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.6 28.76 72.99 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.0 148.93 26.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.68 -43.05 0.59 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.569 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 64.0 132.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.66 -67.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 59.81 175.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.9 mt -65.07 145.44 56.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -105.64 178.72 4.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.3 119.82 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.92 28.63 11.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -92.15 167.75 11.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -115.48 117.18 29.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.671 HG12 ' HB3' ' A' ' 82' ' ' TYR . 17.2 m -123.06 176.69 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.487 HD12 ' C ' ' A' ' 26' ' ' GLU . 15.0 tp -133.57 143.55 48.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.453 HD23 HG12 ' A' ' 80' ' ' VAL . 20.5 mt -86.61 147.46 25.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.6 p -100.04 31.17 3.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.07 -47.43 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.7 m -95.41 -20.45 19.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.057 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 67.48 38.94 3.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.862 0.363 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.487 ' C ' HD12 ' A' ' 20' ' ' LEU . 5.5 mm-40 -130.71 135.47 47.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.426 ' HG3' HD13 ' A' ' 20' ' ' LEU . 3.3 mtt -81.72 153.86 26.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.29 157.83 43.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.7 m -88.59 143.3 27.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.7 t -85.15 134.49 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.089 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -117.87 -44.45 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -124.29 144.6 49.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.613 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.5 t -145.46 106.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.76 -177.87 33.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.555 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.28 158.68 5.07 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.566 2.177 . . . . 0.0 112.384 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 p -107.7 176.79 5.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.82 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -110.82 -31.29 7.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -89.44 -44.03 10.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.77 -34.46 11.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.187 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.8 t 60.79 74.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.87 -115.54 0.38 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.453 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.1 mt -143.89 104.3 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.354 . . . . 0.0 111.201 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -137.67 170.99 15.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.635 HD12 HG21 ' A' ' 80' ' ' VAL . 3.7 mt -137.45 118.8 14.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.66 89.17 0.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.525 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.494 HD11 HG11 ' A' ' 80' ' ' VAL . 95.8 mt -80.56 166.47 21.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.794 0.331 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -143.59 144.83 32.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 71' ' ' TYR . 60.4 mt -113.54 173.47 6.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -94.08 -31.47 14.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.2 m -115.73 -179.62 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.96 103.03 13.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -164.19 30.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.19 -167.76 21.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.536 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -119.43 -42.32 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -89.72 170.19 10.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -96.58 -29.07 14.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 157.11 -25.91 0.49 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.566 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.438 ' HB1' ' O ' ' A' ' 62' ' ' LYS . . . -141.5 173.09 11.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -136.14 100.04 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.995 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.73 -107.01 2.6 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.424 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -110.11 -24.29 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.715 0.293 . . . . 0.0 111.16 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.438 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -81.28 162.23 23.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.902 0.382 . . . . 0.0 111.061 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.6 150.66 48.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.749 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -129.18 -52.75 1.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.417 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 5.7 p90 -141.53 174.38 10.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -129.38 127.37 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.4 p -174.61 178.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 166.45 43.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.54 125.03 17.63 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.594 2.196 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 61.45 64.34 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.444 ' O ' HD12 ' A' ' 48' ' ' LEU . 2.9 m-85 -128.59 -48.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.05 174.89 29.28 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.9 m -149.94 147.93 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 111.127 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.7 mt -104.25 117.4 34.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.504 HG21 ' CG1' ' A' ' 80' ' ' VAL . 5.4 m -129.57 179.54 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.468 ' O ' HG22 ' A' ' 80' ' ' VAL . 6.0 mtt180 -107.07 154.12 40.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.481 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 79.9 Cg_exo -44.87 -55.87 3.06 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.554 2.169 . . . . 0.0 111.449 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -55.72 -23.25 27.96 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.847 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 76' ' ' ARG . 2.0 mmp_? -88.84 -11.15 45.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.74 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.635 HG21 HD12 ' A' ' 44' ' ' LEU . 5.6 m -125.02 125.39 69.44 Favored 'Isoleucine or valine' 0 C--O 1.23 0.053 0 CA-C-O 120.929 0.395 . . . . 0.0 111.353 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.1 p -114.64 156.52 24.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.671 ' HB3' HG12 ' A' ' 19' ' ' VAL . 2.2 p90 -160.52 162.29 32.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.65 119.77 36.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.09 42.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.5 mt -120.06 -40.94 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 111.123 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.14 161.08 0.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.09 127.47 9.26 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.442 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.8 132.49 18.64 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.398 2.065 . . . . 0.0 112.355 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.7 t -89.89 123.13 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.78 98.79 2.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.44 -1.2 . . . . 0.0 112.511 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 60.36 32.17 20.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.864 0.364 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.5 p -98.22 35.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.4 113.38 1.35 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.578 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -154.19 58.78 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.877 0.37 . . . . 0.0 110.778 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -160.09 -45.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.28 59.91 0.55 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.69 137.76 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.99 -119.68 2.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.5 p -121.14 161.09 22.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.978 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -143.15 -46.76 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -99.19 149.45 23.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.09 144.75 54.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.14 48.59 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 60.78 158.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.0 46.92 78.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.86 170.92 14.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -122.95 107.06 11.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.459 HG12 ' HB3' ' A' ' 82' ' ' TYR . 28.9 m -105.31 176.36 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.689 HD13 ' HG2' ' A' ' 27' ' ' MET . 60.8 tp -138.95 148.03 43.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.846 HD23 HG12 ' A' ' 80' ' ' VAL . 36.9 mt -90.96 128.83 36.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.9 p -88.56 56.93 3.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.91 -56.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.1 m -94.04 -22.3 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.78 75.45 0.32 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.853 0.358 . . . . 0.0 110.831 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -150.21 113.4 4.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.689 ' HG2' HD13 ' A' ' 20' ' ' LEU . 9.4 mmm -73.52 142.59 46.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.991 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -146.0 162.15 38.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.5 m -95.57 140.45 30.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.404 ' HA ' HD23 ' A' ' 46' ' ' LEU . 21.6 t -84.4 118.21 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.035 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -110.95 -32.05 6.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.038 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -134.39 145.34 48.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.499 HG13 HD23 ' A' ' 44' ' ' LEU . 22.4 t -148.58 107.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.051 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.54 -170.49 35.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.02 -178.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.589 2.193 . . . . 0.0 112.318 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.681 HG22 ' OH ' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -135.29 -176.39 4.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.794 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -108.47 -36.45 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -89.11 -32.01 17.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.8 -169.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.94 117.04 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.68 -149.59 21.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.523 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.0 mt -107.31 99.96 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.759 0.314 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -111.44 166.12 11.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.757 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.499 HD23 HG13 ' A' ' 33' ' ' VAL . 2.3 mt -134.89 123.21 23.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.95 80.5 1.82 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.991 HD13 ' HB3' ' A' ' 28' ' ' ALA . 46.7 mt -67.89 167.32 13.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -150.36 102.39 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.407 ' CD2' ' HB2' ' A' ' 28' ' ' ALA . 13.0 mt -75.32 170.1 16.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -106.42 31.29 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.403 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 2.8 p -163.16 176.67 9.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.69 81.92 3.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.009 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.41 35.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -132.35 -166.9 11.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -130.77 31.52 4.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -139.96 145.05 37.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -95.53 -31.2 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.401 ' HA2' ' CE1' ' A' ' 65' ' ' PHE . . . 152.95 -27.82 0.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.552 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.821 ' HB2' ' HD2' ' A' ' 63' ' ' ARG . . . -129.58 146.11 51.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.09 106.82 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.173 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 -130.35 10.19 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.92 30.03 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -148.44 161.11 42.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.821 ' HD2' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -118.32 162.29 18.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.681 ' OH ' HG22 ' A' ' 36' ' ' THR . 93.7 m-85 -137.2 -47.06 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CE1' ' HA3' ' A' ' 72' ' ' GLY . 17.1 p90 -146.82 161.3 40.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 t -115.56 102.28 9.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.65 -172.55 3.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -81.85 170.17 16.04 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -60.65 125.03 16.26 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.631 2.221 . . . . 0.0 112.28 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 61.75 52.14 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.039 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 50' ' ' SER . 4.3 m-85 -120.97 -42.32 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.419 ' HA3' ' CE1' ' A' ' 65' ' ' PHE . . . -92.25 172.5 34.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.518 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.9 m -149.45 143.61 18.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.823 0.344 . . . . 0.0 111.222 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 mt -99.98 121.27 41.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.678 HG11 ' CD2' ' A' ' 21' ' ' LEU . 5.5 m -141.91 158.93 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 20.1 mtt180 -98.72 149.59 35.89 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.04 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.506 ' HA ' HG22 ' A' ' 80' ' ' VAL . 89.0 Cg_exo -46.37 -55.87 3.39 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.444 2.096 . . . . 0.0 111.12 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.79 -23.72 45.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.735 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -87.42 -11.54 48.85 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.404 179.005 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.846 HG12 HD23 ' A' ' 21' ' ' LEU . 30.1 m -124.81 -179.98 2.67 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 CA-C-O 120.903 0.382 . . . . 0.0 111.143 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.446 HG21 HD11 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -156.79 177.11 11.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.459 ' HB3' HG12 ' A' ' 19' ' ' VAL . 1.3 p90 -176.88 -36.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -161.51 157.85 25.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.609 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.62 -57.22 0.43 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.48 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.446 HD11 HG21 ' A' ' 81' ' ' THR . 1.4 pt -117.1 113.65 43.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 t 61.91 115.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.07 148.85 17.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.555 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.24 162.47 2.97 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.489 2.126 . . . . 0.0 112.376 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.3 p -160.52 99.15 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.4 m -153.1 165.04 36.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.522 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -86.51 -171.47 3.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 m 60.62 80.43 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.75 167.18 4.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.542 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.38 32.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -135.74 -56.33 0.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.57 -120.48 1.01 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -109.86 34.63 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.317 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.47 61.2 1.25 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.482 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.0 t -158.97 162.42 36.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -69.38 134.53 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -62.48 156.73 22.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.1 mt -85.57 167.02 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.408 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 22.2 p-80 -140.95 -172.94 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -85.17 131.68 34.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.02 42.63 7.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.408 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -117.82 179.47 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.891 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -124.67 151.64 44.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.4 m -155.92 178.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.6 tp -135.28 132.81 38.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.602 HD23 HG12 ' A' ' 80' ' ' VAL . 75.3 mt -73.67 145.31 45.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -98.88 31.24 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.1 m -147.38 -47.53 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.71 -21.78 23.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.014 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.45 35.47 5.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.935 0.398 . . . . 0.0 110.795 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -128.11 136.54 51.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 59.8 mtp -71.46 157.34 38.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.867 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -151.7 168.99 23.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.7 m -111.65 140.69 46.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.93 123.89 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -116.75 -40.39 3.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -125.69 151.06 47.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.987 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.48 100.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.46 -163.62 37.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.542 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 -169.92 0.36 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.624 2.216 . . . . 0.0 112.235 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.644 HG22 ' CE1' ' A' ' 64' ' ' TYR . 6.0 p -141.51 -179.88 6.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -109.55 31.4 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.51 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 52.7 p90 -151.5 -46.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.987 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.452 ' N ' ' CD1' ' A' ' 38' ' ' PHE . . . -101.46 174.33 6.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.7 p -118.93 119.81 35.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.5 -149.55 19.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.448 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 43' ' ' TRP . 4.8 mt -103.15 156.83 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.465 ' N ' HG22 ' A' ' 42' ' ' ILE . 90.3 m95 -155.71 167.37 30.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mt -139.0 107.83 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.97 78.37 0.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.548 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.867 HD13 ' HB3' ' A' ' 28' ' ' ALA . 22.5 mt -66.39 165.7 13.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.25 105.8 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mt -74.69 167.9 20.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.9 -31.48 20.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.95 -169.15 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.1 93.74 7.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -148.39 37.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -130.43 -165.87 11.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.522 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -138.53 31.3 2.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.866 0.365 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -142.64 157.17 44.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -114.6 33.06 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.7 -28.49 14.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.414 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . . . -136.62 143.21 43.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 111.132 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.536 HG21 HD12 ' A' ' 74' ' ' LEU . 21.5 t -121.04 109.23 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.69 -128.14 8.3 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -104.44 30.03 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.48 155.43 43.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' HG3' ' HB2' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -109.16 172.52 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.644 ' CE1' HG22 ' A' ' 36' ' ' THR . 86.7 m-85 -154.41 -47.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.416 ' CE2' ' HA3' ' A' ' 72' ' ' GLY . 12.3 p90 -149.58 -178.49 6.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -126.68 126.68 43.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.3 p -164.75 -174.89 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -88.8 172.04 8.18 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -51.76 116.14 2.56 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.619 2.212 . . . . 0.0 112.283 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 60.82 61.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -119.91 -44.1 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.416 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -96.58 169.68 26.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.5 m -140.83 155.55 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.536 HD12 HG21 ' A' ' 59' ' ' VAL . 2.1 mt -106.23 123.06 47.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.435 HG11 HD22 ' A' ' 21' ' ' LEU . 4.2 m -151.3 172.09 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' ARG . 36.0 mtm105 -109.96 158.17 35.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.414 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 85.5 Cg_exo -45.72 -52.55 6.7 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.625 2.217 . . . . 0.0 111.352 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -55.56 -22.72 23.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.812 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -93.74 -8.75 39.81 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.903 179.324 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.602 HG12 HD23 ' A' ' 21' ' ' LEU . 28.4 m -132.81 124.46 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 CA-C-O 120.979 0.419 . . . . 0.0 111.46 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.48 151.01 50.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -121.31 -42.47 2.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.28 -173.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -138.47 34.65 2.09 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.567 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 pt -97.77 139.5 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 111.108 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.05 88.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.55 86.67 0.68 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.513 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.5 -29.6 40.86 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.565 2.177 . . . . 0.0 112.331 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.44 94.08 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 m -171.04 35.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.492 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.1 -46.38 10.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.08 124.07 38.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.11 147.62 2.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.429 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t 62.57 119.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.353 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.8 37.45 2.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.35 61.4 0.73 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -145.26 162.33 37.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.338 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 129.9 -105.63 0.68 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.581 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.4 p -125.59 148.98 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.43 -47.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.51 36.01 3.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.48 ' O ' HG11 ' A' ' 33' ' ' VAL . 75.4 mt 60.08 103.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -99.74 -176.53 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -75.59 107.75 7.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.99 44.18 0.64 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.557 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.5 m -122.55 172.45 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -121.35 125.75 47.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.78 HG12 ' HB3' ' A' ' 82' ' ' TYR . 21.4 m -138.09 149.95 24.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 27' ' ' MET . 6.6 tp -113.7 146.92 39.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.52 HD23 HG12 ' A' ' 80' ' ' VAL . 7.9 mt -93.21 119.0 31.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.1 p -61.44 -30.54 70.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.52 -65.99 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -28.8 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.2 t30 63.49 39.17 9.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -139.23 138.73 37.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.424 ' N ' HD12 ' A' ' 20' ' ' LEU . 34.0 mtp -68.32 157.21 36.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.521 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -156.64 148.92 23.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.056 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -96.33 136.34 36.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.96 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.51 123.31 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.125 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -110.79 -48.29 3.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -120.07 138.36 53.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.48 HG11 ' O ' ' A' ' 13' ' ' LEU . 21.6 t -140.59 113.18 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.12 -179.37 34.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.13 157.44 6.31 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.671 2.247 . . . . 0.0 112.288 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.2 p -119.42 -177.67 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -107.72 -50.7 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.1 p90 -70.61 -42.03 71.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.34 -179.15 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.07 113.59 12.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.06 -135.97 8.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.1 mt -120.53 124.57 72.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 111.162 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -127.91 170.12 13.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.472 HD23 HG13 ' A' ' 33' ' ' VAL . 3.3 mt -133.27 122.65 24.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.03 74.87 1.96 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.521 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 90.4 mt -66.82 156.94 34.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.805 0.336 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -138.63 99.92 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 71' ' ' TYR . 6.8 mt -74.37 174.06 9.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -98.37 -27.8 13.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -103.65 174.7 5.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.762 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . . . -93.05 73.92 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mmtm -133.87 33.75 3.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.69 -164.32 18.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.401 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.37 31.92 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -147.66 169.43 19.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -119.41 32.24 6.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' A' ' 65' ' ' PHE . . . 100.61 -33.18 6.58 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.537 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.08 158.69 43.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.26 117.01 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.12 -132.43 11.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.492 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.22 30.08 6.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 110.994 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -139.41 154.91 47.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.41 139.01 49.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -120.34 -42.66 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.411 ' CD1' ' HA2' ' A' ' 57' ' ' GLY . 18.2 p90 -155.4 176.48 12.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.96 111.99 13.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.1 p -148.75 -176.41 5.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -76.37 164.34 60.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.82 122.74 11.54 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.572 2.181 . . . . 0.0 112.301 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 59.38 65.09 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.762 ' CE1' ' HB2' ' A' ' 51' ' ' ALA . 3.5 m-85 -127.73 -53.7 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.36 164.9 36.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.0 m -146.73 123.09 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.86 114.87 22.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.5 m -131.28 168.58 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -98.78 154.18 37.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.618 ' HA ' HG22 ' A' ' 80' ' ' VAL . 82.3 Cg_exo -45.59 -53.44 5.56 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.456 2.104 . . . . 0.0 111.352 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -56.19 -23.58 36.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.815 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' ARG . 1.2 mmp_? -89.11 -9.63 50.34 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.63 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.618 HG22 ' HA ' ' A' ' 77' ' ' PRO . 34.8 m -125.09 174.11 9.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 CA-C-O 120.86 0.362 . . . . 0.0 111.271 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.2 165.05 36.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.78 ' HB3' HG12 ' A' ' 19' ' ' VAL . 3.2 p90 -172.45 162.24 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.13 151.13 46.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -162.11 -139.68 2.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 85' ' ' ILE . 7.3 tp -68.14 109.9 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 0.0 111.046 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 p -153.28 105.47 2.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.56 160.34 32.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.517 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -69.51 154.42 68.74 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.527 2.151 . . . . 0.0 112.262 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.6 p -60.03 87.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.5 m -110.72 169.92 8.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.421 -1.211 . . . . 0.0 112.488 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -80.85 140.48 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 p -110.09 -34.06 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.784 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.2 -94.61 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 p -67.11 133.4 49.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -148.15 138.22 22.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.45 133.97 10.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.563 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.44 125.54 16.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.33 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.51 72.73 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.452 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m -125.23 97.61 5.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.428 HG22 ' N ' ' A' ' 12' ' ' LYS . 10.7 p -140.14 155.04 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.053 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' N ' HG22 ' A' ' 11' ' ' VAL . 4.7 mmtp -68.36 162.62 24.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 mt -91.34 147.58 22.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.8 160.79 37.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -59.96 137.3 58.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.99 -28.13 17.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.56 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 m -65.72 173.01 3.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.474 ' O ' HG13 ' A' ' 19' ' ' VAL . 10.0 mm100 -116.69 165.04 13.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.474 HG13 ' O ' ' A' ' 18' ' ' GLN . 15.2 m -157.63 176.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.239 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.8 tp -143.33 135.26 26.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.49 145.6 30.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.62 30.64 3.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -134.45 -47.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -99.0 -19.44 17.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t30 67.3 38.93 3.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -124.74 133.94 52.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.4 mmm -65.9 152.87 43.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.522 ' CB ' HD13 ' A' ' 46' ' ' LEU . . . -149.74 146.15 27.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.3 m -95.93 140.93 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.045 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -87.47 117.47 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.152 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -104.91 -31.06 9.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -139.93 154.21 47.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.726 HG13 HD23 ' A' ' 44' ' ' LEU . 22.0 t -148.55 100.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.09 174.15 46.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.11 142.75 47.17 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.532 2.154 . . . . 0.0 112.259 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.5 p -93.95 -178.63 4.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -108.03 -33.07 7.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 39' ' ' ALA . 53.4 p90 -79.22 -41.52 28.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' N ' ' CD1' ' A' ' 38' ' ' PHE . . . -95.04 -175.26 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.7 m -131.91 104.73 7.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.31 -137.17 7.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.512 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.3 mt -127.02 133.83 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -134.16 159.34 41.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.726 HD23 HG13 ' A' ' 33' ' ' VAL . 1.8 mt -116.65 109.11 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.59 85.85 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.516 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.522 HD13 ' CB ' ' A' ' 28' ' ' ALA . 93.3 mt -72.52 166.64 22.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -148.03 111.88 5.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 71' ' ' TYR . 3.1 mt -93.98 156.1 16.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.55 32.53 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.4 t -160.84 151.14 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.15 75.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -136.26 34.35 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.42 -148.64 5.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.53 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -145.83 -47.39 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -60.22 152.57 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -111.3 33.1 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.419 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 99.65 -38.29 3.17 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -130.29 146.05 51.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 111.047 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.0 t -127.85 139.92 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.7 -129.46 48.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -110.02 30.07 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -137.93 176.32 8.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.4 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -130.14 161.53 30.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 63' ' ' ARG . 42.7 m-85 -145.99 -49.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 13.7 p90 -145.93 -178.08 5.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.31 116.89 11.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.9 p -156.74 175.69 13.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -60.93 161.43 15.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -56.77 123.27 13.46 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.624 2.216 . . . . 0.0 112.276 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 61.7 61.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.605 ' O ' HD12 ' A' ' 48' ' ' LEU . 4.0 m-85 -133.65 -46.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.417 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -90.84 159.76 26.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 46' ' ' LEU . 21.9 m -139.2 176.37 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.174 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mp -144.21 129.24 18.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 m -141.69 179.63 2.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.087 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' ARG . 73.0 mtp85 -98.84 153.27 37.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.072 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.504 ' HA ' HG22 ' A' ' 80' ' ' VAL . 82.6 Cg_exo -45.79 -56.26 2.97 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.489 2.126 . . . . 0.0 111.35 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 p -55.87 -23.8 33.23 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.612 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -85.07 -13.26 50.93 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.566 179.043 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.628 HG21 ' CD1' ' A' ' 44' ' ' LEU . 16.6 m -119.24 134.47 62.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 CA-C-O 120.875 0.369 . . . . 0.0 111.368 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 69.9 p -120.25 134.55 55.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -143.92 -46.9 0.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -129.29 -42.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -51.98 159.58 2.62 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.709 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.1 mm -93.06 143.82 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.01 74.71 0.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.76 103.55 1.7 Allowed Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.429 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.19 -27.12 49.04 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.458 2.106 . . . . 0.0 112.32 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.0 p -90.12 -179.74 5.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 m -97.65 117.69 32.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.509 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -155.1 128.86 8.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -102.48 123.41 46.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.999 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.7 -46.57 2.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.412 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.99 111.91 23.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.0 104.62 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.23 -56.74 0.54 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.507 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 60.67 100.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.58 -125.62 1.0 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.01 168.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.698 HG11 HG11 ' A' ' 33' ' ' VAL . 16.2 t -150.12 148.61 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -104.9 31.76 4.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.619 HD23 ' CD2' ' A' ' 82' ' ' TYR . 6.0 mt -136.04 179.52 6.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.08 170.82 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.86 126.24 30.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.987 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.49 34.08 6.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.4 m -104.6 177.82 4.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -127.66 118.04 23.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.619 HG12 ' HB2' ' A' ' 82' ' ' TYR . 26.9 m -125.31 156.23 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.559 HD12 ' C ' ' A' ' 26' ' ' GLU . 21.3 tp -116.99 150.43 38.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.7 mt -92.94 128.48 38.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.9 p -88.28 58.1 4.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -164.51 -57.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 m -97.71 -14.6 20.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.245 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m120 65.17 77.18 0.31 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.559 ' C ' HD12 ' A' ' 20' ' ' LEU . 4.1 mm-40 -155.03 133.74 12.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.801 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.1 mtt -80.44 150.46 29.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.97 148.01 27.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.2 m -92.16 139.08 30.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.032 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.0 128.18 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.146 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -107.29 -39.17 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -133.0 150.37 52.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.698 HG11 HG11 ' A' ' 11' ' ' VAL . 21.6 t -144.52 116.13 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.97 171.84 26.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.17 166.46 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.582 2.188 . . . . 0.0 112.307 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.484 HG22 ' CE1' ' A' ' 64' ' ' TYR . 48.4 p -123.66 175.96 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -103.43 -40.73 6.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -69.46 -44.19 71.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -119.83 174.12 6.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.084 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.13 174.69 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.03 -139.52 15.78 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.6 mp -135.6 126.57 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.06 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -122.08 172.5 8.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.459 ' CD2' HG13 ' A' ' 33' ' ' VAL . 8.3 mt -133.63 129.81 37.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.73 77.26 2.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.619 HD11 ' CG2' ' A' ' 75' ' ' VAL . 29.2 mt -66.52 159.9 26.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.333 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -142.88 120.21 11.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.563 HD12 ' O ' ' A' ' 71' ' ' TYR . 16.3 mt -100.46 169.08 9.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -107.92 31.58 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.444 ' CA ' ' CE2' ' A' ' 71' ' ' TYR . 73.3 p -162.23 158.06 23.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.765 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . . . -82.77 74.46 9.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -142.03 31.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.76 -135.22 6.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.555 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.0 -50.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.464 ' ND2' HD12 ' A' ' 74' ' ' LEU . 6.7 m-20 -80.95 171.05 15.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -107.71 -32.1 7.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.422 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 164.83 -29.94 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.504 ' HB2' ' CB ' ' A' ' 63' ' ' ARG . . . -139.9 160.4 39.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.807 0.337 . . . . 0.0 111.125 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.63 117.63 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.21 -126.67 8.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.436 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.74 29.99 5.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.24 148.38 18.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.504 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -118.09 150.9 38.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.962 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.484 ' CE1' HG22 ' A' ' 36' ' ' THR . 66.1 m-85 -114.11 -19.71 11.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.229 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.422 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 8.8 p90 -160.39 174.38 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.946 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.33 112.35 12.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.12 -174.8 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' CB ' ' HD2' ' A' ' 69' ' ' PRO . 10.4 mttt -70.55 167.32 27.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.401 ' HD2' ' CB ' ' A' ' 68' ' ' LYS . 37.9 Cg_endo -66.47 127.45 17.33 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.448 2.099 . . . . 0.0 112.23 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.3 m120 64.22 45.23 4.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.765 ' CE1' ' HB2' ' A' ' 51' ' ' ALA . 4.0 m-85 -116.5 -45.23 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.68 176.8 30.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.6 m -150.75 169.72 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.184 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.464 HD12 ' ND2' ' A' ' 55' ' ' ASN . 8.1 mt -122.9 113.75 19.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.619 ' CG2' HD11 ' A' ' 46' ' ' LEU . 5.7 m -136.01 162.46 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -99.55 152.54 37.84 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.502 ' HA ' HG22 ' A' ' 80' ' ' VAL . 80.9 Cg_exo -45.19 -58.1 1.77 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.436 2.091 . . . . 0.0 111.355 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.27 -23.52 36.92 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.689 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.4 OUTLIER -85.26 -13.78 48.73 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.414 178.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 77' ' ' PRO . 21.8 m -120.26 169.36 11.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.065 0 CA-C-O 120.814 0.34 . . . . 0.0 111.176 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.15 123.58 46.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.619 ' CD2' HD23 ' A' ' 13' ' ' LEU . 57.7 t80 -167.98 162.92 13.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -79.83 -169.3 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.52 -61.93 0.38 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.3 pt -103.5 77.82 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.7 m -123.54 108.42 12.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.31 -129.1 0.18 Allowed Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.406 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.72 167.6 20.73 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.491 2.128 . . . . 0.0 112.261 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.5 t -98.59 33.33 2.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 m -108.95 125.52 52.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.465 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -162.55 120.39 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.58 125.99 35.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.22 -63.25 0.48 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.68 139.99 52.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.325 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -121.06 31.39 6.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.28 -145.35 16.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.449 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -161.13 98.53 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.92 49.05 1.82 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.65 158.25 34.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.83 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.95 83.6 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -134.36 167.34 20.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.502 HD22 HG21 ' A' ' 30' ' ' VAL . 1.7 mt -78.19 172.67 13.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -165.56 36.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.597 ' HG2' HG23 ' A' ' 33' ' ' VAL . 26.4 mt-10 61.29 113.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.75 52.4 0.54 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -153.96 162.84 40.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -95.89 135.7 37.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 82' ' ' TYR . 27.3 m -142.24 137.15 29.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.2 tp -96.87 156.45 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.511 HD23 HG12 ' A' ' 80' ' ' VAL . 41.2 mt -100.32 144.55 29.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.3 p -99.27 31.25 3.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.3 m -143.47 -47.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.42 -22.54 17.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.057 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.45 44.99 2.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.816 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -136.21 122.24 20.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.57 155.05 36.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.562 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -154.39 157.87 39.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.099 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 m -97.64 137.29 36.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.502 HG21 HD22 ' A' ' 13' ' ' LEU . 21.8 t -79.14 122.63 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.07 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -110.73 -31.31 7.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.984 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -141.03 136.09 31.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.976 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.597 HG23 ' HG2' ' A' ' 15' ' ' GLU . 25.6 t -132.51 128.16 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.23 -167.18 29.01 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.495 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.4 167.64 24.68 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.565 2.177 . . . . 0.0 112.273 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.0 p -130.17 155.22 46.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -80.14 -41.72 24.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.0 p90 -70.17 -40.43 74.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -111.9 -175.86 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.143 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.3 p -128.22 146.82 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.01 -129.67 9.92 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mt -126.83 143.35 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.848 0.356 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.401 ' CZ2' ' HB1' ' A' ' 39' ' ' ALA . 67.3 m95 -144.14 170.84 15.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.488 HD23 HG13 ' A' ' 33' ' ' VAL . 5.5 mt -135.03 116.82 15.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.43 75.56 1.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.61 156.37 36.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -138.86 107.11 5.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.562 HD23 ' HB2' ' A' ' 28' ' ' ALA . 6.0 mt -78.3 179.72 6.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.51 -31.57 11.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.4 m -111.11 -179.44 3.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.721 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . . . -96.15 103.47 15.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.56 30.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -118.88 -132.01 4.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -154.28 -46.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.629 ' OD1' HG22 ' A' ' 59' ' ' VAL . 25.0 m-80 -68.58 175.8 3.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -134.38 30.8 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.433 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 101.23 -54.7 0.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.489 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.61 149.17 28.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.754 0.312 . . . . 0.0 111.103 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.629 HG22 ' OD1' ' A' ' 55' ' ' ASN . 21.5 t -135.92 99.96 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.17 -121.19 5.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -109.26 30.05 6.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -140.94 175.65 9.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -135.02 166.09 23.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -150.95 -46.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.706 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.433 ' CD2' ' HA2' ' A' ' 57' ' ' GLY . 43.8 p90 -153.48 171.06 19.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 47.0 m -144.91 118.77 9.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 50.0 t -146.61 -70.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HB3' ' CD1' ' A' ' 71' ' ' TYR . 1.2 mtmm -174.26 169.76 1.8 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.13 119.82 7.3 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.65 2.233 . . . . 0.0 112.315 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 59.53 49.28 8.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.105 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.721 ' CE1' ' HB2' ' A' ' 51' ' ' ALA . 2.6 m-85 -114.1 -32.36 6.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.43 ' O ' HG13 ' A' ' 73' ' ' VAL . . . -111.18 -173.78 19.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.416 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 72' ' ' GLY . 15.4 m -156.65 162.65 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 111.123 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.73 107.08 12.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.01 162.71 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 14.1 mtt-85 -93.83 154.67 40.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.181 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.493 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 83.2 Cg_exo -46.13 -57.72 2.06 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.485 2.123 . . . . 0.0 111.266 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 p -56.34 -23.24 36.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.688 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 76' ' ' ARG . 11.9 mmt-85 -85.84 -12.55 50.51 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.454 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.511 HG12 HD23 ' A' ' 21' ' ' LEU . 15.6 m -119.95 130.91 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.064 0 CA-C-O 120.959 0.409 . . . . 0.0 111.268 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.3 p -80.98 133.53 35.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.536 ' HB2' HG12 ' A' ' 19' ' ' VAL . 14.0 t80 -168.56 130.28 1.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.1 150.22 26.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -140.04 141.44 11.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.6 mm -99.74 95.76 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 111.075 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.19 139.98 48.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.16 167.62 13.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.458 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.97 -45.63 1.41 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.558 2.172 . . . . 0.0 112.306 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.4 t -100.72 118.95 37.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -122.17 101.55 7.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.458 -1.19 . . . . 0.0 112.473 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 p -165.01 131.33 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -37.68 16.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.62 -127.53 1.01 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.542 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -106.27 -26.74 11.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.76 83.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.28 178.9 46.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -109.78 124.78 51.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.402 ' O ' HD11 ' A' ' 85' ' ' ILE . . . -96.15 36.56 3.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.448 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.2 t -130.73 35.14 4.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.887 0.375 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.449 HG13 ' N ' ' A' ' 12' ' ' LYS . 8.5 p -158.05 -43.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.449 ' N ' HG13 ' A' ' 11' ' ' VAL . 2.7 ttpm? -82.1 140.34 33.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.515 HD21 ' CG ' ' A' ' 82' ' ' TYR . 9.9 mt -91.56 172.38 8.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.754 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -145.37 -178.16 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -77.46 145.73 36.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.24 37.45 59.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.3 m -111.64 167.52 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -113.22 129.55 56.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.553 HG12 ' HB2' ' A' ' 82' ' ' TYR . 6.3 m -141.21 171.17 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.9 tp -134.93 145.61 48.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.473 HD13 ' HB2' ' A' ' 24' ' ' SER . 6.1 mt -90.66 122.34 33.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.7 p -66.03 -29.81 70.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.4 t -88.56 -65.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.473 ' HB2' HD13 ' A' ' 21' ' ' LEU . 1.3 m -59.35 -28.39 66.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t30 63.35 35.12 12.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -131.13 141.21 50.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.8 mmm -68.01 138.78 56.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.517 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -137.62 144.26 41.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.081 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.7 m -95.83 141.11 29.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -84.45 123.24 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.085 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -110.66 -31.01 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -147.08 153.03 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.601 HG13 ' CD2' ' A' ' 44' ' ' LEU . 22.0 t -147.67 109.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 175.04 -157.3 24.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.16 -170.69 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.567 2.178 . . . . 0.0 112.304 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.424 HG22 ' CZ ' ' A' ' 64' ' ' TYR . 1.1 p -146.49 152.67 39.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.96 40.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -159.27 -45.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.48 -25.74 14.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.235 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.4 m 61.85 89.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.54 -171.25 42.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.424 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.411 ' H ' HD12 ' A' ' 42' ' ' ILE . 3.7 mp -88.76 100.3 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 0.0 111.124 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.785 ' O ' HD23 ' A' ' 44' ' ' LEU . 78.3 m95 -113.96 175.64 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.785 HD23 ' O ' ' A' ' 43' ' ' TRP . 8.5 mt -142.05 103.94 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.78 89.17 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.551 HD12 HG23 ' A' ' 73' ' ' VAL . 74.6 mt -76.62 172.6 12.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.363 . . . . 0.0 111.02 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.66 113.87 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.3 mt -87.06 178.95 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.84 30.07 6.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.41 -173.58 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.36 74.82 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -136.93 31.27 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.23 -134.39 4.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.541 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.62 -46.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.585 ' OD1' HD12 ' A' ' 74' ' ' LEU . 2.4 m-80 -73.64 163.51 27.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -103.24 -30.23 10.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.87 -28.66 0.92 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.92 138.91 32.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.4 126.92 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.38 -126.97 8.09 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -109.37 30.12 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.734 0.302 . . . . 0.0 110.951 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -153.27 158.55 41.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -123.79 146.92 47.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.424 ' CZ ' HG22 ' A' ' 36' ' ' THR . 65.2 m-85 -112.14 -22.31 11.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.17 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -167.29 174.07 8.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.823 0.344 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -117.96 133.91 55.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.1 p -176.82 -176.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -86.93 171.06 10.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.03 124.19 15.66 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.512 2.142 . . . . 0.0 112.321 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 60.73 55.6 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.015 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' A' ' 68' ' ' LYS . 3.0 m-85 -116.16 -48.05 2.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.797 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.44 170.37 28.37 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.551 HG23 HD12 ' A' ' 46' ' ' LEU . 5.4 m -141.84 117.13 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.358 . . . . 0.0 111.174 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.585 HD12 ' OD1' ' A' ' 55' ' ' ASN . 2.9 mt -76.89 114.79 16.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.787 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.471 ' CG2' HD11 ' A' ' 46' ' ' LEU . 29.9 m -141.35 171.47 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.235 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 79' ' ' ARG . 39.8 mtp180 -106.6 159.09 31.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.488 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 79.6 Cg_exo -44.81 -54.4 4.21 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.537 2.158 . . . . 0.0 111.382 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.66 -23.27 27.21 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.822 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 76' ' ' ARG . 2.5 mmm180 -89.28 -11.53 43.24 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.684 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 6.3 m -123.92 125.24 70.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 CA-C-O 120.989 0.423 . . . . 0.0 111.283 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.95 129.08 38.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.997 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.553 ' HB2' HG12 ' A' ' 19' ' ' VAL . 58.3 t80 -177.95 -62.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 67.8 -69.28 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.99 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -162.97 -141.99 3.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.402 HD11 ' O ' ' A' ' 9' ' ' GLY . 3.8 mp -101.69 92.8 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 111.045 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.2 t -74.97 -52.13 11.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -169.49 116.89 0.68 Allowed Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.76 163.93 35.32 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.421 2.081 . . . . 0.0 112.27 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.87 123.11 25.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.8 m -158.48 157.97 33.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.328 -1.262 . . . . 0.0 112.476 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 p 58.61 -172.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.81 127.76 44.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.96 70.98 3.03 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.451 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.61 136.95 43.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.78 0.324 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.94 159.41 4.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.79 -44.55 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -79.98 105.48 11.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.369 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.0 -127.64 4.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.54 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -134.92 105.9 6.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.765 0.317 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.77 -53.51 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.58 161.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.833 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mp -85.26 -177.38 6.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.29 -175.09 3.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.803 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -91.89 140.68 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.6 32.15 62.09 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -108.4 176.03 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.352 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -117.95 149.38 41.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.7 m -145.86 178.46 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.1 tp -143.43 131.41 21.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.4 HD23 HG12 ' A' ' 80' ' ' VAL . 55.8 mt -76.61 138.75 40.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 t -101.81 30.88 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.3 p -119.48 -54.45 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -124.67 15.63 8.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.286 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 53.38 87.24 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.87 0.367 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -154.37 121.23 5.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 93.3 mtp -77.3 156.27 31.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.835 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -159.95 155.56 25.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.1 m -97.76 132.34 43.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.13 127.91 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.155 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -116.06 -39.96 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -127.87 147.49 50.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.989 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.585 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.6 t -144.1 105.45 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.216 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.54 170.06 24.63 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.482 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.28 145.17 36.47 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.605 2.204 . . . . 0.0 112.289 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.635 HG22 ' CE1' ' A' ' 64' ' ' TYR . 11.2 p -102.23 -179.41 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -98.23 -39.51 8.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -66.76 -36.26 82.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -131.14 169.95 15.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.56 161.82 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.85 -135.18 12.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.08 146.51 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 111.089 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.516 ' O ' HD23 ' A' ' 44' ' ' LEU . 85.0 m95 -145.42 175.76 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.774 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.585 ' CD2' HG13 ' A' ' 33' ' ' VAL . 17.0 mt -145.53 110.07 5.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.91 85.67 0.67 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.388 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.835 HD13 ' HB3' ' A' ' 28' ' ' ALA . 74.1 mt -74.22 168.53 19.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -149.5 128.19 12.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 71' ' ' TYR . 13.1 mt -100.33 178.51 4.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 30.51 7.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.412 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -173.61 -175.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.42 81.33 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -141.09 33.96 1.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.37 -170.38 12.11 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.458 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -41.61 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.752 0.31 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -87.95 150.3 23.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -80.05 -24.09 40.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.068 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.41 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 165.39 -29.81 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' A' ' 62' ' ' LYS . . . -134.67 165.81 24.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.86 0.362 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.79 109.15 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.05 -130.67 10.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.504 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -110.03 30.05 7.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.748 0.309 . . . . 0.0 110.998 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.503 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 4.6 tttt -128.74 178.44 6.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.08 143.73 50.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.635 ' CE1' HG22 ' A' ' 36' ' ' THR . 94.9 m-85 -135.39 -56.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.41 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 5.1 p90 -138.47 162.33 34.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.6 m -120.69 119.11 31.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.3 p -162.39 176.09 10.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.19 169.46 11.68 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.7 124.82 16.62 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.57 2.18 . . . . 0.0 112.281 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 61.36 54.71 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.52 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.4 m-85 -122.85 -44.24 2.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.408 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -97.17 164.99 22.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.8 m -147.82 148.34 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -107.1 128.76 54.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.457 HG21 ' CG1' ' A' ' 80' ' ' VAL . 17.7 m -143.9 179.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' ARG . 12.5 mtm180 -109.9 152.54 43.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.632 ' HA ' HG22 ' A' ' 80' ' ' VAL . 83.6 Cg_exo -45.4 -53.69 5.2 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.485 2.124 . . . . 0.0 111.339 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.83 -23.55 31.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.783 178.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 76' ' ' ARG . 16.0 mmm-85 -89.3 -10.29 47.36 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.631 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.632 HG22 ' HA ' ' A' ' 77' ' ' PRO . 34.7 m -122.77 167.11 16.73 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 CA-C-O 120.904 0.383 . . . . 0.0 111.344 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 p -149.85 149.19 30.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -160.07 29.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.003 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 57.2 91.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -76.4 -53.87 5.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.528 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.8 tt -174.85 133.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.339 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.0 m -155.89 -48.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 144.47 100.36 0.31 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.27 66.66 1.05 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.493 2.129 . . . . 0.0 112.245 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.5 m -127.28 -176.49 3.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -176.63 -50.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.416 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.143 0 N-CA-C 112.584 -0.206 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.87 161.45 13.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.12 156.74 16.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.38 73.36 0.65 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.452 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 t -76.42 -29.29 56.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.752 0.31 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 62.83 104.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.78 -172.09 28.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.41 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 61.76 115.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.93 87.02 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 p -154.0 139.46 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 12' ' ' LYS . 11.2 p -128.7 -44.84 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.072 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.489 ' N ' HG13 ' A' ' 11' ' ' VAL . 1.2 tttt -77.44 176.53 8.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.04 170.41 16.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -106.49 159.77 15.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -71.06 134.96 47.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.31 37.2 70.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.538 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -103.04 168.78 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -106.52 125.91 51.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.498 HG21 HD21 ' A' ' 46' ' ' LEU . 22.2 m -128.98 142.24 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.8 tp -104.08 145.24 30.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.08 139.1 31.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 t -98.73 31.47 2.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.26 -47.91 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 m -131.75 10.68 4.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.313 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 54.7 83.99 0.07 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.81 0.338 . . . . 0.0 110.995 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.62 120.86 9.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 60.8 mmm -70.62 150.72 45.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.39 -179.94 7.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.3 m -126.98 125.85 42.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.431 ' HA ' HD23 ' A' ' 46' ' ' LEU . 21.6 t -77.11 124.51 35.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.182 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -111.54 -33.85 6.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -143.65 141.18 30.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.678 HG13 ' CD2' ' A' ' 44' ' ' LEU . 27.8 t -133.21 112.93 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.65 -172.59 40.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.43 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.06 175.85 7.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.626 2.217 . . . . 0.0 112.286 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.511 HG23 ' CD1' ' A' ' 43' ' ' TRP . 69.3 p -127.83 176.46 7.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -102.97 -31.26 10.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.571 ' CE2' HG11 ' A' ' 59' ' ' VAL . 52.9 p90 -78.28 -31.22 48.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -125.55 179.3 5.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.1 m -125.69 88.46 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.83 176.53 43.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mp -83.35 111.97 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 111.153 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.744 ' O ' HD23 ' A' ' 44' ' ' LEU . 85.0 m95 -115.17 179.64 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.744 HD23 ' O ' ' A' ' 43' ' ' TRP . 19.1 mt -145.27 125.28 13.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.7 80.2 1.59 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.527 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.498 HD21 HG21 ' A' ' 19' ' ' VAL . 85.1 mt -79.75 167.65 20.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.995 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -151.48 107.67 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.3 mt -73.31 165.7 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -100.67 32.23 3.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.06 173.54 1.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.8 97.0 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.04 30.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.38 179.81 16.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -110.6 -36.07 5.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -79.09 -179.38 6.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -133.2 29.97 3.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.427 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 95.41 -37.05 3.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.578 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -111.91 130.58 55.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.571 HG11 ' CE2' ' A' ' 38' ' ' PHE . 20.7 t -112.03 105.43 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.95 -113.08 4.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.0 24.34 13.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.754 0.312 . . . . 0.0 111.003 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -160.03 137.91 9.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.91 148.68 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -115.21 -10.72 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.337 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.427 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 21.2 p90 -162.94 158.82 22.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 m -110.05 137.45 47.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.831 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.2 p -176.7 178.54 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -80.47 169.22 20.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.4 122.98 12.19 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.612 2.208 . . . . 0.0 112.258 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 61.08 64.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -125.15 -61.04 1.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -93.37 161.3 25.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.444 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.5 m -134.04 179.54 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.353 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mp -130.89 120.49 23.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.469 HG22 HD12 ' A' ' 46' ' ' LEU . 4.6 m -139.46 171.05 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.052 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 79' ' ' ARG . 1.3 mtt180 -99.81 151.06 37.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.412 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 88.4 Cg_exo -45.93 -50.66 9.44 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.441 2.094 . . . . 0.0 111.346 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.46 -23.12 23.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.708 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.9 OUTLIER -91.33 -10.41 41.39 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.863 179.262 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 11.9 m -131.21 125.08 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 121.061 0.457 . . . . 0.0 111.594 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.1 m -113.11 141.85 46.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.845 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -139.98 -46.82 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 63.8 137.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.6 -104.4 1.4 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 pt -59.34 166.07 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 111.215 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t 63.58 135.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 140.31 -168.82 25.01 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.536 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.97 107.7 1.96 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.554 2.169 . . . . 0.0 112.312 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.91 -53.03 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 83.9 p -87.66 -31.31 19.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.45 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -107.42 138.66 43.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.772 0.32 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.1 p -162.72 -175.06 4.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.72 45.93 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.459 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.64 143.96 28.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -117.42 85.55 2.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.54 -160.63 30.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -72.78 -176.79 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.06 92.38 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.432 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -167.05 35.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.788 0.328 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p -64.92 133.31 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -101.25 166.48 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.532 ' CD1' HG11 ' A' ' 19' ' ' VAL . 46.7 mt -90.43 145.97 24.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -101.99 175.42 5.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -77.6 114.14 16.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.12 36.03 1.55 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.406 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -122.54 173.62 7.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -122.66 135.78 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.577 HG12 ' HB3' ' A' ' 82' ' ' TYR . 28.4 m -137.83 143.2 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 tp -112.87 127.65 56.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.4 mt -67.68 145.01 55.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 t -99.0 31.08 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.3 m -141.66 -47.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.66 -21.81 17.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.054 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 67.37 42.62 2.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.876 0.369 . . . . 0.0 110.806 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -128.77 121.99 29.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 30.6 mtp -68.03 144.73 55.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.24 146.09 38.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.6 m -89.66 139.67 30.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.23 134.04 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.106 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -120.01 -45.89 2.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -131.54 145.62 51.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.638 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.4 t -145.52 100.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 177.6 -163.13 31.39 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.03 -174.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.602 2.201 . . . . 0.0 112.322 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.558 HG21 ' CD1' ' A' ' 43' ' ' TRP . 0.8 OUTLIER -147.73 171.83 15.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.46 -56.67 2.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.698 ' CD1' HG11 ' A' ' 59' ' ' VAL . 49.1 p90 -61.14 -35.75 77.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.09 -170.57 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.91 -177.34 3.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.7 -139.36 20.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.7 mt -131.26 134.54 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.897 0.38 . . . . 0.0 111.086 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.558 ' CD1' HG21 ' A' ' 36' ' ' THR . 84.1 m95 -131.49 166.84 20.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.638 ' CD2' HG13 ' A' ' 33' ' ' VAL . 25.2 mt -123.9 117.42 24.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.35 78.0 0.58 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.59 160.29 31.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.329 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -145.69 103.54 3.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.8 mt -80.62 163.97 23.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.24 30.95 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 p -170.63 154.37 4.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.79 86.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.066 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.03 31.91 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -122.89 -141.69 5.98 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -152.3 -47.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.547 ' OD1' HG22 ' A' ' 59' ' ' VAL . 58.7 m-80 -70.25 148.24 48.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -99.04 26.95 5.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.32 -42.19 2.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.23 112.27 22.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 111.196 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.698 HG11 ' CD1' ' A' ' 38' ' ' PHE . 21.5 t -98.07 106.58 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.5 -118.77 4.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.41 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -107.37 29.39 7.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.06 180.0 8.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.71 154.9 42.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -125.21 1.82 7.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.453 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -176.78 160.91 1.97 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -115.56 123.19 47.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.6 p -168.41 -177.28 3.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -80.88 168.77 22.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.34 120.98 8.17 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.468 2.112 . . . . 0.0 112.331 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 61.71 57.77 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 68' ' ' LYS . 4.0 m-85 -119.31 -48.18 2.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.799 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.09 173.04 32.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.497 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 m -152.56 158.91 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.45 124.75 51.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.821 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.426 HG21 ' CG1' ' A' ' 80' ' ' VAL . 3.8 m -135.31 179.48 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' ARG . 27.5 mtp85 -111.48 145.74 33.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.982 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.632 ' HA ' HG22 ' A' ' 80' ' ' VAL . 83.8 Cg_exo -45.6 -56.35 2.87 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.375 2.05 . . . . 0.0 111.315 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.5 t -56.15 -22.97 31.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.842 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 76' ' ' ARG . 52.7 mmm-85 -91.01 -8.84 47.98 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.666 179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.632 HG22 ' HA ' ' A' ' 77' ' ' PRO . 35.0 m -123.01 167.0 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.075 0 CA-C-O 120.886 0.374 . . . . 0.0 111.131 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.18 156.29 40.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.003 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.577 ' HB3' HG12 ' A' ' 19' ' ' VAL . 2.3 p90 -152.68 149.16 28.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -104.07 -65.79 1.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.07 -86.56 0.46 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 85' ' ' ILE . 15.6 tt -73.56 121.89 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 111.039 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 m 60.77 166.43 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 124.9 -52.03 0.81 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.435 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -51.76 127.85 24.36 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.614 2.21 . . . . 0.0 112.352 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -148.28 129.59 14.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.6 89.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.499 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -145.45 142.53 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.11 -60.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.23 89.97 0.13 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m 60.32 163.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.349 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 60.17 179.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.05 161.46 11.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -85.52 175.94 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.36 47.67 1.04 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.8 m -111.61 129.46 56.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.9 p -109.84 -31.77 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.02 -169.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 mp -75.59 143.71 42.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -110.31 146.64 35.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.03 139.33 58.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.86 28.81 22.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.525 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.99 179.15 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.348 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -119.29 121.98 40.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.7 m -119.23 154.4 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.2 tp -117.62 130.29 56.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -72.81 144.64 47.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.48 31.67 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.0 m -151.13 -47.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -87.4 -20.43 26.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 62.96 45.34 5.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 110.826 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.93 137.83 38.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.806 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.6 mtp -76.93 136.8 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.461 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -129.52 145.4 51.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.056 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.6 m -88.85 132.06 34.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.96 129.21 37.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.095 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -116.55 -39.1 3.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -130.55 150.13 51.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.721 HG13 ' CD2' ' A' ' 44' ' ' LEU . 22.1 t -150.12 104.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.052 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.19 -179.16 39.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.582 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.12 155.92 8.29 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.631 2.221 . . . . 0.0 112.359 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.556 HG22 ' CE2' ' A' ' 64' ' ' TYR . 70.5 p -122.02 -178.71 3.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.36 -45.29 3.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -63.96 -38.75 92.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.5 170.73 9.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.7 p -112.5 111.64 22.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.7 -162.87 28.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.9 mp -108.0 106.7 21.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.686 ' O ' HD23 ' A' ' 44' ' ' LEU . 49.2 m95 -110.59 173.42 6.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.73 HD12 HG21 ' A' ' 80' ' ' VAL . 13.3 mt -132.38 121.5 23.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.66 78.79 0.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.392 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.461 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 39.2 mt -73.35 171.25 13.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.995 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.74 132.85 14.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 71' ' ' TYR . 14.2 mt -105.06 172.27 6.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -108.82 31.22 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.6 p -168.66 170.44 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.54 90.46 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -154.3 36.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.14 -162.84 11.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.538 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.21 -51.25 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.735 0.302 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -77.98 147.54 34.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -98.66 31.42 2.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.415 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 100.61 -28.33 16.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.451 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.37 137.79 52.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.802 0.334 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.83 100.15 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.08 -116.62 4.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.421 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.93 30.01 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -159.97 157.59 29.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.24 149.22 52.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.556 ' CE2' HG22 ' A' ' 36' ' ' THR . 4.4 m-85 -118.0 -6.23 10.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.387 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CE2' ' HA3' ' A' ' 72' ' ' GLY . 14.9 p90 -170.96 163.56 7.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.93 129.23 56.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.8 p -173.8 -178.9 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.47 167.19 38.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.3 122.27 11.2 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.564 2.176 . . . . 0.0 112.282 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 62.28 62.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.504 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.6 m-85 -125.78 -52.11 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.419 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -91.32 177.8 41.21 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.0 m -150.5 165.75 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 0.0 111.235 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.0 119.56 25.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.487 HG21 ' CG1' ' A' ' 80' ' ' VAL . 5.5 m -137.27 179.89 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.076 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 79' ' ' ARG . 27.6 mtm105 -109.56 156.36 39.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -45.32 -51.26 8.07 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.524 2.149 . . . . 0.0 111.374 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 m -55.33 -22.98 21.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.785 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 76' ' ' ARG . 5.2 mtt180 -93.84 -10.1 35.15 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.961 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.73 HG21 HD12 ' A' ' 44' ' ' LEU . 12.6 m -133.64 124.88 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-O 121.061 0.457 . . . . 0.0 111.544 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -129.13 128.37 43.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.843 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -112.54 14.18 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.282 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 53.06 -177.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.775 0.321 . . . . 0.0 111.111 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.08 154.43 9.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.552 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.3 mt 63.21 122.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 111.066 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.8 m 60.54 177.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.62 -171.95 47.35 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.526 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.26 96.76 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.576 2.184 . . . . 0.0 112.288 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 p -109.89 -32.37 7.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.27 177.3 7.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.492 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 112.586 -0.206 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -98.34 -35.58 10.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -147.49 115.1 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.89 -92.0 0.78 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -72.21 135.51 46.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.13 160.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.28 -172.7 5.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.602 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 60.14 162.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.481 ' O ' HG22 ' A' ' 10' ' ' THR . . . -164.52 -96.84 0.11 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.508 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 9' ' ' GLY . 15.2 t 45.11 -167.1 0.01 OUTLIER 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.841 0.353 . . . . 0.0 111.327 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.02 -20.51 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.409 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.2 mttt 63.18 143.6 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.939 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.1 mt -97.5 163.49 12.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -132.79 156.98 46.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -66.68 108.71 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.0 29.72 4.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.65 163.93 14.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -112.42 108.59 17.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -119.39 167.63 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.451 HD12 ' C ' ' A' ' 26' ' ' GLU . 10.2 tp -132.38 137.02 47.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 mt -72.79 152.3 41.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -106.65 32.68 4.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 m -143.22 -47.57 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.816 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.7 m -94.98 -19.15 20.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.1 t30 67.43 37.87 3.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.827 0.346 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' C ' HD12 ' A' ' 20' ' ' LEU . 4.0 mm-40 -125.76 134.29 51.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.43 ' N ' HD12 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -78.02 158.65 29.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.57 149.53 23.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.6 m -86.65 142.59 28.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.12 134.48 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -116.94 -40.04 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -138.57 153.88 48.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.488 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.6 t -147.48 127.64 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.0 178.79 17.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.33 170.39 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.566 2.177 . . . . 0.0 112.256 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.425 ' OG1' ' HB3' ' A' ' 39' ' ' ALA . 40.8 p -121.92 -172.93 2.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.26 -31.04 9.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 39' ' ' ALA . 15.1 p90 -91.01 -31.45 16.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.444 ' N ' ' CD1' ' A' ' 38' ' ' PHE . . . -106.67 178.33 4.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.5 59.49 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.77 -128.99 1.3 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.7 mp -141.11 116.15 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 111.189 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -123.71 169.62 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.529 ' CD1' HG21 ' A' ' 80' ' ' VAL . 18.6 mt -125.71 126.64 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.36 85.7 1.33 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.541 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.3 mt -79.3 164.26 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -148.89 110.39 4.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 71' ' ' TYR . 25.9 mt -80.15 -179.97 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -97.28 -33.91 11.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.934 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.8 p -115.74 177.49 4.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.753 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . . . -77.97 89.23 4.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.99 48.38 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.33 -161.27 8.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.66 31.73 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.805 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -133.01 178.1 7.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -134.46 31.18 3.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.415 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 91.35 -51.37 3.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -130.69 164.84 24.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 111.133 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -151.97 123.18 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.1 -134.39 12.45 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -108.56 30.08 6.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -144.59 170.25 16.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.17 151.5 42.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.432 ' HB2' ' CD1' ' A' ' 65' ' ' PHE . 23.5 m-85 -130.77 -48.28 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 64' ' ' TYR . 8.3 p90 -152.72 166.3 32.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.85 117.9 29.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.3 p -156.3 -177.11 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -81.35 163.0 56.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.19 117.94 4.09 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.488 2.125 . . . . 0.0 112.314 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 62.59 61.26 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.753 ' CE1' ' HB2' ' A' ' 51' ' ' ALA . 4.8 m-85 -128.24 -47.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -87.75 175.61 45.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 m -148.95 146.94 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 111.167 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.75 113.3 25.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.1 m -127.85 167.84 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -97.58 154.37 37.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.006 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.607 ' HA ' HG22 ' A' ' 80' ' ' VAL . 88.2 Cg_exo -46.2 -53.01 6.38 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.432 2.088 . . . . 0.0 111.21 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 p -56.05 -23.56 34.14 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.783 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' ARG . 26.3 mmt85 -87.91 -11.32 47.97 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.517 179.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.607 HG22 ' HA ' ' A' ' 77' ' ' PRO . 35.7 m -122.53 169.88 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.066 0 CA-C-O 120.9 0.381 . . . . 0.0 111.181 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.8 161.28 36.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -167.42 -174.5 2.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.46 -58.37 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.88 -54.89 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 mt 60.44 85.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 111.074 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.7 p -68.27 -31.17 70.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 154.4 -72.3 0.26 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.3 175.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.605 2.203 . . . . 0.0 112.323 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.0 p -136.2 -178.62 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -74.05 -52.52 12.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.479 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.72 83.83 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 110.837 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -154.1 -52.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.88 -116.28 8.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.604 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 p -87.56 168.16 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -164.76 91.64 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.57 -167.58 12.97 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.52 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.82 129.9 42.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.341 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.64 46.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 p -82.12 174.56 11.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.362 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.461 HG22 ' CG ' ' A' ' 77' ' ' PRO . 21.5 t -149.8 -58.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.98 31.37 11.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.417 HD12 ' CG1' ' A' ' 11' ' ' VAL . 13.0 mt -128.36 136.01 50.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -132.6 47.54 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 60.9 113.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.22 39.91 1.0 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 m -138.33 169.51 17.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.791 0.329 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -105.75 137.47 43.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.608 HG21 HD21 ' A' ' 46' ' ' LEU . 17.2 m -143.98 149.21 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 26' ' ' GLU . 8.5 tp -115.83 142.76 46.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.6 mt -81.64 146.93 29.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.793 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.1 p -83.9 -24.47 30.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 m -93.1 -73.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -58.1 -26.56 62.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.96 38.05 8.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.754 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.51 ' C ' HD12 ' A' ' 20' ' ' LEU . 1.3 mm-40 -123.88 143.15 50.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.0 mtp -75.76 148.96 38.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.699 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -148.0 146.83 29.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 m -90.42 137.24 32.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.64 114.21 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -108.04 -30.48 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -146.26 138.29 25.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.5 134.55 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.48 178.26 16.42 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.98 173.03 11.76 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.587 2.192 . . . . 0.0 112.288 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.3 p -122.64 168.5 12.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -31.53 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' A' ' 39' ' ' ALA . 55.6 p90 -81.9 -46.72 13.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' N ' ' CD2' ' A' ' 38' ' ' PHE . . . -111.57 155.63 23.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.56 143.26 33.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.81 -131.09 6.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.433 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.9 mt -135.36 125.8 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -131.12 140.94 50.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.703 HD11 ' N ' ' A' ' 77' ' ' PRO . 0.6 OUTLIER -113.63 106.62 14.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.42 77.87 0.13 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.699 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 43.8 mt -70.88 166.98 19.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -147.2 120.11 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.6 mt -95.45 162.68 13.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.8 -32.94 35.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.3 p -114.0 172.75 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.83 106.74 5.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -155.63 31.37 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -131.71 -170.99 12.73 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -138.43 31.19 2.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.859 0.362 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -145.76 149.69 34.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -98.42 30.75 3.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.439 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 66.81 26.27 73.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.54 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -160.05 135.76 8.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.0 107.87 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.88 -138.07 16.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -98.77 30.06 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.68 169.52 17.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -130.33 161.91 30.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -132.48 -56.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.439 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 11.7 p90 -136.68 168.51 19.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.7 m -121.54 125.75 47.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.1 p -166.95 -179.31 4.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -73.51 164.73 58.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.986 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.44 121.71 10.42 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.527 2.151 . . . . 0.0 112.278 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 60.98 56.73 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.42 ' CD2' ' HB2' ' A' ' 68' ' ' LYS . 3.6 m-85 -120.08 -43.63 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.71 174.18 27.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.5 m -140.95 162.63 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.827 0.346 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.1 mt -122.44 105.1 9.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.485 ' O ' HD12 ' A' ' 44' ' ' LEU . 5.3 m -127.63 176.64 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -106.28 153.77 40.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.995 -179.892 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.807 ' HA ' HG22 ' A' ' 80' ' ' VAL . 85.7 Cg_exo -46.78 -52.04 8.2 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.368 2.045 . . . . 0.0 111.194 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.0 m -56.0 -22.97 29.99 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.833 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' ARG . 1.6 mmp_? -92.15 -9.22 43.23 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.798 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.807 HG22 ' HA ' ' A' ' 77' ' ' PRO . 11.1 m -121.97 134.07 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 CA-C-O 120.942 0.401 . . . . 0.0 111.489 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.86 145.8 50.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -143.87 -46.94 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 -171.9 145.44 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.98 -179.95 21.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.9 tt -157.46 141.32 7.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.83 0.348 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.52 -176.45 5.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.81 -157.66 16.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.81 143.31 50.21 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.591 2.194 . . . . 0.0 112.357 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.02 98.27 8.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.6 m -96.96 151.77 19.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.303 -1.276 . . . . 0.0 112.475 179.922 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.117 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.19 31.68 2.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -152.6 101.89 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.51 80.2 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.7 p -91.34 89.84 7.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.31 110.5 3.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.3 -89.26 0.57 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.529 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 60.18 31.29 20.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.365 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.78 -41.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.8 m -158.07 113.15 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.48 95.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.95 139.35 30.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mt 63.42 136.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -113.89 -66.78 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -178.2 152.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 59.61 28.89 65.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.499 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 m -99.94 168.05 10.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -109.04 148.84 30.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 m -151.68 175.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.498 HD11 ' C ' ' A' ' 25' ' ' ASN . 49.0 tp -137.4 131.8 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.5 mt -73.41 145.27 45.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 t -98.71 31.44 2.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -131.72 -46.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.4 m -113.53 -8.51 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.259 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.498 ' C ' HD11 ' A' ' 20' ' ' LEU . 13.7 m-20 63.1 35.02 13.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -106.7 131.27 54.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 33.0 mtp -71.91 149.53 45.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -148.85 149.96 32.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.6 m -97.47 133.08 42.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.06 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.01 115.09 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -99.16 -34.86 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.04 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -143.4 143.1 31.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.638 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.7 t -133.23 114.58 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.19 -169.34 40.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.24 179.84 3.66 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.609 2.206 . . . . 0.0 112.313 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.818 HG22 ' CE2' ' A' ' 64' ' ' TYR . 14.1 p -131.87 -178.56 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.78 -30.31 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.429 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 44.9 p90 -83.07 -33.22 26.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.934 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.15 -37.84 4.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.174 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.37 105.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.782 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.658 ' O ' HD13 ' A' ' 42' ' ' ILE . . . 168.08 -114.65 0.58 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.658 HD13 ' O ' ' A' ' 41' ' ' GLY . 24.3 mm -137.16 100.93 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 111.119 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.696 ' O ' HD23 ' A' ' 44' ' ' LEU . 59.1 m95 -126.7 179.98 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.696 HD23 ' O ' ' A' ' 43' ' ' TRP . 7.5 mt -143.39 127.13 17.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.09 91.92 1.14 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.529 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 74.8 mt -81.61 163.87 22.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -153.03 137.44 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.674 HD12 ' O ' ' A' ' 71' ' ' TYR . 9.1 mt -120.53 173.55 7.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.93 36.21 3.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.0 t -170.64 174.35 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.64 68.12 5.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.05 33.23 4.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.937 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.74 -161.4 8.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.547 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.18 42.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 0.0 110.829 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.422 ' OD1' HG22 ' A' ' 59' ' ' VAL . 5.1 m-20 -158.0 141.38 15.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -99.19 26.79 5.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.424 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 93.56 -41.86 2.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.59 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.98 137.62 42.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.619 HG21 HD11 ' A' ' 74' ' ' LEU . 22.8 t -127.11 117.88 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.071 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.66 -116.07 8.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -110.0 25.75 11.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.05 157.87 29.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.864 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 ptt-85 -126.84 145.04 50.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.983 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.818 ' CE2' HG22 ' A' ' 36' ' ' THR . 35.4 m-85 -112.25 -16.34 13.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.424 ' CD2' ' HA2' ' A' ' 57' ' ' GLY . 15.5 p90 -161.84 166.88 25.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.7 m -115.52 125.81 53.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.5 p -164.88 -174.82 3.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -90.02 170.32 10.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.89 119.72 7.06 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.502 2.135 . . . . 0.0 112.275 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 63.91 51.88 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.674 ' O ' HD12 ' A' ' 48' ' ' LEU . 8.5 m-85 -118.94 -41.95 2.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.77 169.86 19.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.8 m -143.3 158.12 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 111.113 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 59' ' ' VAL . 8.4 mt -112.71 124.0 51.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.2 m -150.0 161.88 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 79' ' ' ARG . 18.3 mtt180 -97.38 159.31 31.5 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.57 ' HA ' HG22 ' A' ' 80' ' ' VAL . 85.2 Cg_exo -44.6 -55.84 3.01 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.509 2.139 . . . . 0.0 111.449 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 m -55.75 -23.21 28.03 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.896 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.9 OUTLIER -89.58 -10.13 47.21 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.718 179.173 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.57 HG22 ' HA ' ' A' ' 77' ' ' PRO . 24.3 m -121.96 138.18 53.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 CA-C-O 120.967 0.413 . . . . 0.0 111.337 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.39 150.12 25.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -173.5 120.79 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.61 103.72 12.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -167.79 64.14 0.2 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 pt -101.82 -29.36 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.8 t -111.76 -75.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -126.65 102.54 0.63 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.558 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -50.54 -27.53 19.31 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.619 2.212 . . . . 0.0 112.277 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -77.51 -69.84 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.821 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -112.91 105.16 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.471 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.107 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 m -135.61 -47.59 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 t -98.69 83.34 2.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.73 43.63 2.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.416 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.01 169.02 8.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -112.96 -63.27 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.09 108.82 3.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.45 -40.98 17.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.03 66.82 1.71 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 m -121.5 125.03 45.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.19 92.8 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.059 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -69.84 132.76 46.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.483 HD22 HD22 ' A' ' 44' ' ' LEU . 4.5 mp 59.85 106.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -87.56 -175.99 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -82.32 120.3 25.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.49 50.6 2.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -120.77 164.63 16.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -107.33 120.44 42.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.748 HG12 ' HB3' ' A' ' 82' ' ' TYR . 20.8 m -130.75 164.03 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.2 tp -120.17 154.0 35.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.0 mt -99.53 142.82 30.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -98.64 28.81 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.2 m -134.06 -46.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.764 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.2 m -103.48 -20.08 14.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 t30 67.83 41.81 2.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.938 0.399 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -127.99 137.54 52.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.86 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.39 159.91 32.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.536 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -158.22 141.57 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m -87.9 133.82 33.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.01 124.66 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.152 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -111.12 -41.48 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -131.92 153.57 50.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.515 HG22 HD23 ' A' ' 44' ' ' LEU . 21.4 t -152.0 138.38 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.89 -155.36 21.2 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.6 173.77 10.34 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.551 2.167 . . . . 0.0 112.281 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.7 p -139.65 -178.54 5.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -119.41 31.57 6.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.412 ' CD2' ' N ' ' A' ' 39' ' ' ALA . 54.9 p90 -149.16 -46.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.412 ' N ' ' CD2' ' A' ' 38' ' ' PHE . . . -93.5 -27.31 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.92 35.66 10.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.804 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -139.4 -163.54 9.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.3 mt -96.27 104.61 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 111.07 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -125.9 167.52 15.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.515 HD23 HG22 ' A' ' 33' ' ' VAL . 1.4 mp -128.09 120.77 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.72 69.0 0.58 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.536 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 81.4 mt -62.06 155.48 23.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.818 0.342 . . . . 0.0 110.972 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.29 107.64 5.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.409 ' CD2' ' HB2' ' A' ' 28' ' ' ALA . 4.4 mt -85.29 160.17 19.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.93 36.95 1.47 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 m -170.15 148.29 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.78 97.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -162.1 35.48 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -124.92 -149.66 7.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.548 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -147.59 31.53 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.787 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -156.7 152.79 27.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -89.33 -31.57 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.418 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 159.33 -27.83 0.38 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.499 ' HB2' ' HD2' ' A' ' 63' ' ' ARG . . . -125.11 152.59 44.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.56 127.01 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.76 -127.69 36.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.9 29.93 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -143.29 154.98 44.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.499 ' HD2' ' HB2' ' A' ' 58' ' ' ALA . 1.3 tpp180 -107.4 159.83 16.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -139.83 -48.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.418 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 7.8 p90 -150.06 179.08 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 t -136.22 124.06 22.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.0 p -167.56 -178.06 3.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.55 173.42 3.45 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.21 119.77 7.21 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.579 2.186 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 61.69 50.35 4.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.021 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -108.86 -31.61 7.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.33 160.93 13.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.6 m -138.41 167.25 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 mp -125.62 115.71 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.492 ' O ' HD12 ' A' ' 44' ' ' LEU . 5.3 m -129.94 173.86 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.003 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 4.4 mtt180 -91.65 147.11 34.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.606 ' HA ' HG22 ' A' ' 80' ' ' VAL . 83.3 Cg_exo -46.18 -50.71 9.64 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.349 2.033 . . . . 0.0 111.144 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.2 p -56.19 -24.04 39.22 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.69 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 76' ' ' ARG . 14.6 mmm-85 -86.43 -11.4 51.98 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.517 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.606 HG22 ' HA ' ' A' ' 77' ' ' PRO . 28.9 m -122.04 164.22 19.32 Favored 'Isoleucine or valine' 0 C--N 1.338 0.07 0 CA-C-O 120.927 0.394 . . . . 0.0 111.178 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.09 160.07 43.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.748 ' HB3' HG12 ' A' ' 19' ' ' VAL . 2.2 p90 -164.07 -173.06 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -139.11 132.06 29.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 160.95 141.46 3.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.3 pt -72.19 73.57 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.908 0.385 . . . . 0.0 111.194 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 51.64 29.4 5.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.159 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -168.14 142.41 7.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.571 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.51 107.04 2.39 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.555 2.17 . . . . 0.0 112.303 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.4 p 56.7 103.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.011 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.2 t 59.33 164.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.463 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.72 131.62 44.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.4 129.24 26.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.05 99.25 2.49 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.57 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.61 30.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t 58.73 175.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.55 103.68 1.0 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.436 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.55 -32.9 13.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.491 ' O ' HG22 ' A' ' 10' ' ' THR . . . -120.9 110.35 1.7 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 9' ' ' GLY . 15.1 t 45.32 -167.61 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.863 0.363 . . . . 0.0 111.345 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -117.05 139.57 43.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -86.39 158.45 19.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.467 HD13 HG21 ' A' ' 30' ' ' VAL . 21.2 mt -125.07 -177.0 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.06 34.6 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 60.52 110.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.9 34.79 1.21 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.89 168.62 17.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.354 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -100.46 145.58 28.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.1 m -147.27 167.46 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.0 tp -131.72 141.05 49.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.775 HD23 HG12 ' A' ' 80' ' ' VAL . 13.1 mt -89.73 149.48 22.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.44 31.3 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.8 m -138.64 -47.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -100.46 -16.21 17.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 m120 61.61 41.02 12.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.929 0.395 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -126.6 129.09 47.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.8 mtp -67.0 156.9 34.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.471 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -156.03 155.77 33.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.7 m -96.78 142.04 29.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.467 HG21 HD13 ' A' ' 13' ' ' LEU . 26.7 t -84.04 124.78 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.03 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -112.17 -35.11 5.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -140.53 153.63 46.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.772 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.9 t -145.05 121.65 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.93 -158.86 27.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.17 -175.87 1.4 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.565 2.177 . . . . 0.0 112.297 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.899 HG22 ' CZ ' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -133.37 177.38 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -96.36 -30.44 13.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -103.48 31.32 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -174.67 166.58 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.69 86.74 2.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.24 -137.14 2.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -123.14 136.8 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -146.68 168.83 20.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.772 ' CD2' HG13 ' A' ' 33' ' ' VAL . 7.7 mt -138.74 104.81 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.953 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.59 89.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' A' ' 28' ' ' ALA . 64.2 mt -76.89 175.58 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -157.11 113.98 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 71' ' ' TYR . 1.7 mt -88.24 175.26 7.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -92.72 -33.02 14.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.17 175.89 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.19 94.03 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.022 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -146.1 37.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.08 -170.98 12.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -129.22 31.21 4.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -136.22 153.92 51.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -112.92 30.06 7.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.416 ' HA2' ' CD1' ' A' ' 65' ' ' PHE . . . 91.57 -47.32 2.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.577 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.77 127.14 55.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.66 111.98 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.46 -122.32 12.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.78 29.98 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -158.58 175.32 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -148.51 144.8 27.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.899 ' CZ ' HG22 ' A' ' 36' ' ' THR . 42.4 m-85 -111.32 -18.89 12.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.416 ' CD1' ' HA2' ' A' ' 57' ' ' GLY . 16.4 p90 -159.35 156.25 28.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.97 102.27 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 p -144.64 -175.2 4.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.998 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -80.71 169.22 20.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.15 118.73 5.32 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.55 2.166 . . . . 0.0 112.275 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 62.01 52.58 3.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.055 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.662 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.7 m-85 -114.3 -36.26 4.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.781 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.79 175.05 16.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.52 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.8 m -146.6 163.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.312 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.621 HD11 ' CD1' ' A' ' 64' ' ' TYR . 1.6 mt -114.75 116.23 28.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.488 HG21 ' CG1' ' A' ' 80' ' ' VAL . 14.2 m -134.86 169.49 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.461 ' O ' HG22 ' A' ' 80' ' ' VAL . 16.9 mtm105 -103.08 153.67 38.16 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.037 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.483 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 81.3 Cg_exo -44.93 -54.98 3.7 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.518 2.145 . . . . 0.0 111.325 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.75 -23.36 28.92 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.844 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 76' ' ' ARG . 2.3 mmp_? -89.85 -10.3 45.84 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.61 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.775 HG12 HD23 ' A' ' 21' ' ' LEU . 5.5 m -124.54 125.27 69.89 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 CA-C-O 120.922 0.391 . . . . 0.0 111.303 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.6 m -84.43 130.05 34.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -137.82 112.26 8.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.27 136.74 25.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -150.89 87.56 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.438 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.9 mm 61.76 112.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 111.072 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.83 134.96 34.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.68 67.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.523 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.3 62.08 3.43 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.631 2.221 . . . . 0.0 112.279 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.55 -48.39 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -150.83 96.96 2.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.481 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.4 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.778 0.323 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -126.21 -54.13 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -179.35 159.91 0.96 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.93 28.32 68.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.624 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 m -104.78 166.32 10.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.358 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -123.78 128.57 49.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.6 m -134.69 145.51 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.452 HD12 ' C ' ' A' ' 26' ' ' GLU . 21.0 tp -110.16 131.97 54.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.33 140.94 58.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -98.76 33.29 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.49 -47.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -94.8 -19.18 20.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.0 m120 63.01 55.81 1.91 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.02 0.438 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.452 ' C ' HD12 ' A' ' 20' ' ' LEU . 7.8 mm-40 -141.8 124.12 15.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.7 mtp -60.0 154.07 19.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -153.32 138.28 17.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.7 m -87.41 132.38 34.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.91 120.4 32.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.174 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -107.7 -50.27 3.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 33' ' ' VAL . 48.9 t80 -115.53 157.11 24.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.565 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.5 t -150.91 125.86 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.81 -176.0 21.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.12 154.72 66.03 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.501 2.134 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.5 p -108.14 172.46 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.02 -30.99 11.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.48 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 55.5 p90 -75.18 -31.2 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.78 170.71 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.2 p -108.71 90.8 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.3 175.16 28.91 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.3 mm -81.45 145.68 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.364 . . . . 0.0 111.069 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.44 ' HB3' HD22 ' A' ' 74' ' ' LEU . 85.4 m95 -142.34 175.09 10.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.565 ' CD2' HG13 ' A' ' 33' ' ' VAL . 17.5 mt -139.21 107.5 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.91 97.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.521 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.486 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 93.9 mt -91.56 157.73 16.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -144.61 116.4 8.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 71' ' ' TYR . 14.3 mt -93.81 166.69 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -98.36 35.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.0 t -175.9 174.38 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.37 86.13 7.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -143.65 35.96 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.81 -158.89 8.13 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.551 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -142.02 30.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -134.0 155.04 50.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -110.43 33.02 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.41 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 97.73 -44.5 1.83 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.462 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . . . -136.72 156.31 48.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.43 114.37 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.18 -130.78 10.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -106.87 30.05 6.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.02 129.56 27.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.462 ' HG3' ' HB2' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -96.73 129.97 44.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.453 ' HH ' ' HE1' ' A' ' 38' ' ' PHE . 47.6 m-85 -113.02 -31.31 6.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.412 ' HD2' ' HG ' ' A' ' 67' ' ' CYS . 15.2 p90 -171.22 179.8 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.8 t -133.83 119.02 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.412 ' HG ' ' HD2' ' A' ' 65' ' ' PHE . 22.1 p -161.5 173.45 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.443 ' CB ' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -61.35 167.47 4.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.94 124.51 15.87 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.668 2.245 . . . . 0.0 112.258 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.7 m120 61.78 51.28 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.067 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.471 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.4 m-85 -112.38 -50.22 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.38 171.67 31.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.449 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.6 m -143.11 163.02 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.76 0.314 . . . . 0.0 111.196 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.48 HD13 ' CZ ' ' A' ' 38' ' ' PHE . 7.3 mt -118.48 119.78 35.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.433 HG22 HD12 ' A' ' 46' ' ' LEU . 3.1 m -139.16 166.15 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -98.96 152.41 37.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.581 ' HA ' HG22 ' A' ' 80' ' ' VAL . 84.1 Cg_exo -45.87 -56.87 2.52 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.476 2.117 . . . . 0.0 111.277 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.53 -23.46 40.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.719 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -87.08 -11.77 49.2 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 179.015 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.581 HG22 ' HA ' ' A' ' 77' ' ' PRO . 27.4 m -121.73 170.28 12.04 Favored 'Isoleucine or valine' 0 C--O 1.23 0.078 0 CA-C-O 120.874 0.369 . . . . 0.0 111.24 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.961 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.623 HD22 HD13 ' A' ' 44' ' ' LEU . 2.8 mp . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.855 0.359 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -174.6 165.73 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.73 99.41 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.66 48.05 0.17 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.564 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 m -133.39 163.79 28.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 110.781 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -117.96 114.48 23.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.54 HG21 HD21 ' A' ' 46' ' ' LEU . 31.0 m -114.79 169.5 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.1 tp -138.55 149.25 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.84 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.667 HD23 HG12 ' A' ' 80' ' ' VAL . 44.1 mt -94.9 125.2 39.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t -68.87 -32.53 72.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.63 48.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.806 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.29 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.1 m120 62.56 49.58 3.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -131.71 106.62 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.2 mtp -59.97 148.32 35.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.493 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . . . -152.81 149.84 28.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.084 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.7 m -88.76 143.23 27.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.08 129.15 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.097 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -109.43 -41.81 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -130.47 150.58 51.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.602 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.5 t -139.21 108.21 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.92 -177.59 37.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.423 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.1 -178.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.582 2.188 . . . . 0.0 112.411 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.681 HG22 ' HE2' ' A' ' 64' ' ' TYR . 36.9 p -132.94 162.97 30.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -81.28 -36.13 30.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -85.18 -44.95 12.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.459 ' HB3' ' OG1' ' A' ' 36' ' ' THR . . . -101.27 178.35 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.2 t -137.46 96.56 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 172.39 -137.57 4.31 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.4 mt -117.94 105.84 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.342 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.408 ' CD2' ' HG2' ' A' ' 76' ' ' ARG . 58.8 m95 -126.19 159.72 32.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.623 HD13 HD22 ' A' ' 13' ' ' LEU . 10.3 mt -127.48 124.65 38.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.78 85.65 0.65 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.527 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.54 HD21 HG21 ' A' ' 19' ' ' VAL . 86.6 mt -72.57 166.5 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -146.02 100.96 3.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.493 ' CD2' ' HB2' ' A' ' 28' ' ' ALA . 17.9 mt -82.31 161.11 22.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.68 -31.01 15.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.3 t -91.45 167.23 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.77 80.22 4.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -151.01 33.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.822 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.08 -166.88 22.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -131.01 30.96 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -156.54 154.36 30.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.35 -32.86 10.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 159.52 -28.81 0.38 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.71 ' HB2' ' HD2' ' A' ' 63' ' ' ARG . . . -133.44 146.9 51.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 111.069 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.16 127.06 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.38 -130.95 26.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.79 30.0 6.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.46 155.91 41.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.71 ' HD2' ' HB2' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -109.48 160.87 15.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.681 ' HE2' HG22 ' A' ' 36' ' ' THR . 49.6 m-85 -132.2 -46.71 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -152.98 171.33 18.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.78 103.32 9.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.89 -174.4 4.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 166.01 38.01 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.5 127.76 26.71 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.617 2.211 . . . . 0.0 112.274 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m120 61.61 60.56 1.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.029 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -130.74 -57.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -85.52 161.53 35.43 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.7 m -135.73 155.13 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.048 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.518 HD21 ' CD2' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -113.95 116.58 29.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.509 HG21 ' CG1' ' A' ' 80' ' ' VAL . 5.5 m -133.43 175.46 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 79' ' ' ARG . 5.5 mtt180 -109.29 151.87 42.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.418 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 84.5 Cg_exo -45.51 -51.38 8.09 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.488 2.125 . . . . 0.0 111.304 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.3 m -55.49 -22.79 22.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.807 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 76' ' ' ARG . 5.3 mmt180 -95.41 -6.88 39.89 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.941 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.667 HG12 HD23 ' A' ' 21' ' ' LEU . 16.5 m -133.69 126.16 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-O 120.963 0.411 . . . . 0.0 111.651 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 46.7 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.858 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.502 ' O ' HG11 ' A' ' 33' ' ' VAL . 25.6 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.849 0.357 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -121.43 -57.68 1.82 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.08 133.34 6.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.819 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.76 53.25 28.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.44 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 30' ' ' VAL . 43.6 m -119.7 149.59 41.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -96.04 115.12 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.8 m -129.33 152.0 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.508 HD12 ' C ' ' A' ' 26' ' ' GLU . 21.7 tp -111.89 147.36 35.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.638 HD23 HG12 ' A' ' 80' ' ' VAL . 26.9 mt -91.46 135.72 33.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.797 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 79' ' ' ARG . 4.0 t -79.43 -25.97 41.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.6 p -93.89 -47.47 6.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.099 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.431 ' HB2' HD12 ' A' ' 21' ' ' LEU . 2.1 m -79.1 -29.64 43.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.051 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.8 t30 63.57 42.43 6.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.508 ' C ' HD12 ' A' ' 20' ' ' LEU . 3.3 mm-40 -142.14 133.37 26.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.42 ' HG2' HD13 ' A' ' 20' ' ' LEU . 6.8 mtp -66.18 158.46 28.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.488 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -159.12 165.58 33.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.6 m -102.81 132.54 48.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 17' ' ' SER . 21.7 t -81.69 127.17 39.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.135 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -112.87 -48.34 3.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -116.8 143.63 45.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.502 HG11 ' O ' ' A' ' 13' ' ' LEU . 21.6 t -147.61 111.36 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.61 -158.62 30.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.534 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.9 158.51 56.52 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.575 2.183 . . . . 0.0 112.344 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.4 p -117.62 177.65 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -110.86 -32.97 6.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -79.22 -31.83 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.21 -176.52 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 p -130.27 89.83 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.45 -160.85 33.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.399 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.2 mt -101.46 121.93 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.656 ' O ' HD23 ' A' ' 44' ' ' LEU . 56.8 m95 -130.61 177.56 7.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 43' ' ' TRP . 8.5 mt -140.89 135.75 31.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.37 85.56 1.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.532 ' CD1' HD21 ' A' ' 21' ' ' LEU . 78.8 mt -72.91 164.66 26.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.012 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.31 123.54 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 71' ' ' TYR . 2.7 mt -108.98 158.06 18.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -99.02 31.08 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.25 149.68 26.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.67 86.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -156.25 30.31 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.69 -158.54 16.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.545 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -144.9 31.9 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.825 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -164.82 164.99 20.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -98.82 -30.97 12.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.795 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.42 ' HA2' ' CE1' ' A' ' 65' ' ' PHE . . . 162.91 -29.07 0.25 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.596 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.58 155.75 37.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.653 HG21 ' CD1' ' A' ' 74' ' ' LEU . 21.5 t -142.37 100.34 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 -126.69 8.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -110.05 30.09 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.72 0.295 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -146.59 159.31 43.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.47 158.54 17.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -135.97 -58.2 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.42 ' CE1' ' HA2' ' A' ' 57' ' ' GLY . 19.0 p90 -140.83 179.91 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.04 101.99 4.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.9 p -145.33 -177.18 5.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 32.7 mtmt -74.12 167.93 31.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.31 122.77 12.09 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.498 2.132 . . . . 0.0 112.27 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 61.04 63.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.437 ' O ' HD12 ' A' ' 48' ' ' LEU . 4.0 m-85 -129.23 -45.43 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.37 152.78 17.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.9 m -128.96 175.16 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.653 ' CD1' HG21 ' A' ' 59' ' ' VAL . 5.4 mt -125.38 128.22 47.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.634 HG11 HD22 ' A' ' 21' ' ' LEU . 17.0 m -144.84 170.26 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' ARG . 23.2 mtm180 -107.78 154.4 40.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.487 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 80.4 Cg_exo -44.67 -55.52 3.25 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.577 2.185 . . . . 0.0 111.506 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -55.85 -23.44 30.8 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.688 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.698 ' O ' HG22 ' A' ' 22' ' ' THR . 4.8 mmm180 -87.6 -12.31 46.03 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.548 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.638 HG12 HD23 ' A' ' 21' ' ' LEU . 11.4 m -122.65 125.14 72.1 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.04 0 CA-C-O 120.965 0.412 . . . . 0.0 111.291 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.931 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -105.64 178.72 4.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.3 119.82 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.92 28.63 11.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -92.15 167.75 11.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -115.48 117.18 29.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.2 m -123.06 176.69 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.487 HD12 ' C ' ' A' ' 26' ' ' GLU . 15.0 tp -133.57 143.55 48.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.453 HD23 HG12 ' A' ' 80' ' ' VAL . 20.5 mt -86.61 147.46 25.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.6 p -100.04 31.17 3.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.07 -47.43 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.7 m -95.41 -20.45 19.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.057 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 67.48 38.94 3.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.862 0.363 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.487 ' C ' HD12 ' A' ' 20' ' ' LEU . 5.5 mm-40 -130.71 135.47 47.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.426 ' HG3' HD13 ' A' ' 20' ' ' LEU . 3.3 mtt -81.72 153.86 26.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.29 157.83 43.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.7 m -88.59 143.3 27.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.7 t -85.15 134.49 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.089 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -117.87 -44.45 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -124.29 144.6 49.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.613 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.5 t -145.46 106.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.76 -177.87 33.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.555 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.28 158.68 5.07 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.566 2.177 . . . . 0.0 112.384 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 p -107.7 176.79 5.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.82 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -110.82 -31.29 7.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -89.44 -44.03 10.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.77 -34.46 11.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.187 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.8 t 60.79 74.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.87 -115.54 0.38 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.453 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.1 mt -143.89 104.3 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.354 . . . . 0.0 111.201 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -137.67 170.99 15.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.635 HD12 HG21 ' A' ' 80' ' ' VAL . 3.7 mt -137.45 118.8 14.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.66 89.17 0.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.525 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.494 HD11 HG11 ' A' ' 80' ' ' VAL . 95.8 mt -80.56 166.47 21.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.794 0.331 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -143.59 144.83 32.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 71' ' ' TYR . 60.4 mt -113.54 173.47 6.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -94.08 -31.47 14.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.2 m -115.73 -179.62 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.96 103.03 13.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -164.19 30.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.19 -167.76 21.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.536 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -119.43 -42.32 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -89.72 170.19 10.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -96.58 -29.07 14.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.417 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 157.11 -25.91 0.49 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.566 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.438 ' HB1' ' O ' ' A' ' 62' ' ' LYS . . . -141.5 173.09 11.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -136.14 100.04 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.995 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.73 -107.01 2.6 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.424 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -110.11 -24.29 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.715 0.293 . . . . 0.0 111.16 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.438 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -81.28 162.23 23.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.902 0.382 . . . . 0.0 111.061 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.6 150.66 48.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.749 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -129.18 -52.75 1.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.417 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 5.7 p90 -141.53 174.38 10.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -129.38 127.37 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.4 p -174.61 178.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 166.45 43.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.54 125.03 17.63 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.594 2.196 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 61.45 64.34 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.444 ' O ' HD12 ' A' ' 48' ' ' LEU . 2.9 m-85 -128.59 -48.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.05 174.89 29.28 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.9 m -149.94 147.93 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 111.127 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.7 mt -104.25 117.4 34.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.504 HG21 ' CG1' ' A' ' 80' ' ' VAL . 5.4 m -129.57 179.54 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.468 ' O ' HG22 ' A' ' 80' ' ' VAL . 6.0 mtt180 -107.07 154.12 40.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.481 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 79.9 Cg_exo -44.87 -55.87 3.06 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.554 2.169 . . . . 0.0 111.449 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -55.72 -23.25 27.96 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.847 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 76' ' ' ARG . 2.0 mmp_? -88.84 -11.15 45.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.74 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.635 HG21 HD12 ' A' ' 44' ' ' LEU . 5.6 m -125.02 125.39 69.44 Favored 'Isoleucine or valine' 0 C--O 1.23 0.053 0 CA-C-O 120.929 0.395 . . . . 0.0 111.353 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.913 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.0 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.898 0.38 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.14 48.59 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 60.78 158.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.0 46.92 78.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.86 170.92 14.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -122.95 107.06 11.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.9 m -105.31 176.36 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.689 HD13 ' HG2' ' A' ' 27' ' ' MET . 60.8 tp -138.95 148.03 43.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.846 HD23 HG12 ' A' ' 80' ' ' VAL . 36.9 mt -90.96 128.83 36.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.9 p -88.56 56.93 3.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.91 -56.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.1 m -94.04 -22.3 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.78 75.45 0.32 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.853 0.358 . . . . 0.0 110.831 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -150.21 113.4 4.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.689 ' HG2' HD13 ' A' ' 20' ' ' LEU . 9.4 mmm -73.52 142.59 46.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.991 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -146.0 162.15 38.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.5 m -95.57 140.45 30.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.404 ' HA ' HD23 ' A' ' 46' ' ' LEU . 21.6 t -84.4 118.21 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.035 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -110.95 -32.05 6.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.038 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -134.39 145.34 48.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.499 HG13 HD23 ' A' ' 44' ' ' LEU . 22.4 t -148.58 107.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.051 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.54 -170.49 35.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.02 -178.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.589 2.193 . . . . 0.0 112.318 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.681 HG22 ' OH ' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -135.29 -176.39 4.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.794 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -108.47 -36.45 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -89.11 -32.01 17.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.8 -169.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.94 117.04 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.68 -149.59 21.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.523 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.0 mt -107.31 99.96 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.759 0.314 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -111.44 166.12 11.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.757 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.499 HD23 HG13 ' A' ' 33' ' ' VAL . 2.3 mt -134.89 123.21 23.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.95 80.5 1.82 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.991 HD13 ' HB3' ' A' ' 28' ' ' ALA . 46.7 mt -67.89 167.32 13.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -150.36 102.39 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.407 ' CD2' ' HB2' ' A' ' 28' ' ' ALA . 13.0 mt -75.32 170.1 16.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -106.42 31.29 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.403 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 2.8 p -163.16 176.67 9.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.69 81.92 3.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.009 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.41 35.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -132.35 -166.9 11.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -130.77 31.52 4.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -139.96 145.05 37.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -95.53 -31.2 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.401 ' HA2' ' CE1' ' A' ' 65' ' ' PHE . . . 152.95 -27.82 0.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.552 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.821 ' HB2' ' HD2' ' A' ' 63' ' ' ARG . . . -129.58 146.11 51.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.09 106.82 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.173 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 -130.35 10.19 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.92 30.03 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -148.44 161.11 42.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.821 ' HD2' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -118.32 162.29 18.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.681 ' OH ' HG22 ' A' ' 36' ' ' THR . 93.7 m-85 -137.2 -47.06 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CE1' ' HA3' ' A' ' 72' ' ' GLY . 17.1 p90 -146.82 161.3 40.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 t -115.56 102.28 9.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.65 -172.55 3.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -81.85 170.17 16.04 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -60.65 125.03 16.26 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.631 2.221 . . . . 0.0 112.28 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 61.75 52.14 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.039 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 50' ' ' SER . 4.3 m-85 -120.97 -42.32 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.419 ' HA3' ' CE1' ' A' ' 65' ' ' PHE . . . -92.25 172.5 34.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.518 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.9 m -149.45 143.61 18.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.823 0.344 . . . . 0.0 111.222 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 mt -99.98 121.27 41.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.678 HG11 ' CD2' ' A' ' 21' ' ' LEU . 5.5 m -141.91 158.93 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 20.1 mtt180 -98.72 149.59 35.89 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.04 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.506 ' HA ' HG22 ' A' ' 80' ' ' VAL . 89.0 Cg_exo -46.37 -55.87 3.39 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.444 2.096 . . . . 0.0 111.12 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.79 -23.72 45.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.735 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -87.42 -11.54 48.85 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.404 179.005 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.846 HG12 HD23 ' A' ' 21' ' ' LEU . 30.1 m -124.81 -179.98 2.67 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 CA-C-O 120.903 0.382 . . . . 0.0 111.143 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.1 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.879 0.371 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.408 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 22.2 p-80 -140.95 -172.94 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -85.17 131.68 34.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.02 42.63 7.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.408 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -117.82 179.47 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.891 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -124.67 151.64 44.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.4 m -155.92 178.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.6 tp -135.28 132.81 38.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.602 HD23 HG12 ' A' ' 80' ' ' VAL . 75.3 mt -73.67 145.31 45.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -98.88 31.24 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.1 m -147.38 -47.53 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.71 -21.78 23.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.014 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.45 35.47 5.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.935 0.398 . . . . 0.0 110.795 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -128.11 136.54 51.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 59.8 mtp -71.46 157.34 38.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.867 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -151.7 168.99 23.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.7 m -111.65 140.69 46.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.93 123.89 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -116.75 -40.39 3.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -125.69 151.06 47.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.987 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.48 100.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.46 -163.62 37.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.542 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 -169.92 0.36 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.624 2.216 . . . . 0.0 112.235 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.644 HG22 ' CE1' ' A' ' 64' ' ' TYR . 6.0 p -141.51 -179.88 6.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -109.55 31.4 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.51 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 52.7 p90 -151.5 -46.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.987 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.452 ' N ' ' CD1' ' A' ' 38' ' ' PHE . . . -101.46 174.33 6.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.7 p -118.93 119.81 35.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.5 -149.55 19.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.448 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 43' ' ' TRP . 4.8 mt -103.15 156.83 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.465 ' N ' HG22 ' A' ' 42' ' ' ILE . 90.3 m95 -155.71 167.37 30.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mt -139.0 107.83 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.97 78.37 0.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.548 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.867 HD13 ' HB3' ' A' ' 28' ' ' ALA . 22.5 mt -66.39 165.7 13.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.25 105.8 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mt -74.69 167.9 20.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.9 -31.48 20.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.95 -169.15 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.1 93.74 7.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -148.39 37.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -130.43 -165.87 11.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.522 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -138.53 31.3 2.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.866 0.365 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -142.64 157.17 44.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -114.6 33.06 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.7 -28.49 14.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.414 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . . . -136.62 143.21 43.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 111.132 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.536 HG21 HD12 ' A' ' 74' ' ' LEU . 21.5 t -121.04 109.23 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.69 -128.14 8.3 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -104.44 30.03 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.48 155.43 43.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.414 ' HG3' ' HB2' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -109.16 172.52 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.644 ' CE1' HG22 ' A' ' 36' ' ' THR . 86.7 m-85 -154.41 -47.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.416 ' CE2' ' HA3' ' A' ' 72' ' ' GLY . 12.3 p90 -149.58 -178.49 6.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -126.68 126.68 43.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.3 p -164.75 -174.89 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -88.8 172.04 8.18 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -51.76 116.14 2.56 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.619 2.212 . . . . 0.0 112.283 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 60.82 61.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -119.91 -44.1 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.416 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -96.58 169.68 26.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.5 m -140.83 155.55 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.536 HD12 HG21 ' A' ' 59' ' ' VAL . 2.1 mt -106.23 123.06 47.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.435 HG11 HD22 ' A' ' 21' ' ' LEU . 4.2 m -151.3 172.09 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' ARG . 36.0 mtm105 -109.96 158.17 35.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.414 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 85.5 Cg_exo -45.72 -52.55 6.7 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.625 2.217 . . . . 0.0 111.352 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -55.56 -22.72 23.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.812 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -93.74 -8.75 39.81 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.903 179.324 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.602 HG12 HD23 ' A' ' 21' ' ' LEU . 28.4 m -132.81 124.46 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 CA-C-O 120.979 0.419 . . . . 0.0 111.46 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.48 ' O ' HG11 ' A' ' 33' ' ' VAL . 75.4 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.797 0.332 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -99.74 -176.53 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -75.59 107.75 7.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.99 44.18 0.64 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.557 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.5 m -122.55 172.45 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -121.35 125.75 47.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 m -138.09 149.95 24.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.122 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 27' ' ' MET . 6.6 tp -113.7 146.92 39.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.52 HD23 HG12 ' A' ' 80' ' ' VAL . 7.9 mt -93.21 119.0 31.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.1 p -61.44 -30.54 70.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.52 -65.99 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -28.8 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.2 t30 63.49 39.17 9.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -139.23 138.73 37.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.424 ' N ' HD12 ' A' ' 20' ' ' LEU . 34.0 mtp -68.32 157.21 36.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.521 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -156.64 148.92 23.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.056 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -96.33 136.34 36.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.96 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.51 123.31 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.125 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -110.79 -48.29 3.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -120.07 138.36 53.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.48 HG11 ' O ' ' A' ' 13' ' ' LEU . 21.6 t -140.59 113.18 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.12 -179.37 34.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.13 157.44 6.31 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.671 2.247 . . . . 0.0 112.288 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.2 p -119.42 -177.67 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -107.72 -50.7 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.1 p90 -70.61 -42.03 71.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.34 -179.15 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.07 113.59 12.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.06 -135.97 8.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.1 mt -120.53 124.57 72.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 111.162 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -127.91 170.12 13.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.472 HD23 HG13 ' A' ' 33' ' ' VAL . 3.3 mt -133.27 122.65 24.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.03 74.87 1.96 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.521 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 90.4 mt -66.82 156.94 34.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.805 0.336 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -138.63 99.92 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 71' ' ' TYR . 6.8 mt -74.37 174.06 9.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -98.37 -27.8 13.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -103.65 174.7 5.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.762 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . . . -93.05 73.92 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mmtm -133.87 33.75 3.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.69 -164.32 18.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.401 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.37 31.92 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -147.66 169.43 19.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -119.41 32.24 6.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' A' ' 65' ' ' PHE . . . 100.61 -33.18 6.58 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.537 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.08 158.69 43.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.26 117.01 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.12 -132.43 11.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.492 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.22 30.08 6.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 110.994 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -139.41 154.91 47.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.41 139.01 49.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -120.34 -42.66 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.411 ' CD1' ' HA2' ' A' ' 57' ' ' GLY . 18.2 p90 -155.4 176.48 12.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.96 111.99 13.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.1 p -148.75 -176.41 5.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -76.37 164.34 60.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.82 122.74 11.54 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.572 2.181 . . . . 0.0 112.301 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 59.38 65.09 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.762 ' CE1' ' HB2' ' A' ' 51' ' ' ALA . 3.5 m-85 -127.73 -53.7 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.36 164.9 36.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.0 m -146.73 123.09 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.86 114.87 22.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.5 m -131.28 168.58 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -98.78 154.18 37.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.618 ' HA ' HG22 ' A' ' 80' ' ' VAL . 82.3 Cg_exo -45.59 -53.44 5.56 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.456 2.104 . . . . 0.0 111.352 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -56.19 -23.58 36.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.815 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' ARG . 1.2 mmp_? -89.11 -9.63 50.34 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.63 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.618 HG22 ' HA ' ' A' ' 77' ' ' PRO . 34.8 m -125.09 174.11 9.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 CA-C-O 120.86 0.362 . . . . 0.0 111.271 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.8 160.79 37.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -59.96 137.3 58.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.99 -28.13 17.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.56 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 m -65.72 173.01 3.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.517 ' NE2' HG23 ' A' ' 29' ' ' THR . 5.8 mm-40 -116.69 165.04 13.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.474 HG13 ' O ' ' A' ' 18' ' ' GLN . 15.2 m -157.63 176.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.239 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.8 tp -143.33 135.26 26.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.49 145.6 30.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.62 30.64 3.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -134.45 -47.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -99.0 -19.44 17.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t30 67.3 38.93 3.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -124.74 133.94 52.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.4 mmm -65.9 152.87 43.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.522 ' CB ' HD13 ' A' ' 46' ' ' LEU . . . -149.74 146.15 27.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.517 HG23 ' NE2' ' A' ' 18' ' ' GLN . 24.3 m -95.93 140.93 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.045 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -87.47 117.47 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.152 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -104.91 -31.06 9.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -139.93 154.21 47.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.726 HG13 HD23 ' A' ' 44' ' ' LEU . 22.0 t -148.55 100.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.09 174.15 46.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.11 142.75 47.17 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.532 2.154 . . . . 0.0 112.259 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.5 p -93.95 -178.63 4.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -108.03 -33.07 7.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 39' ' ' ALA . 53.4 p90 -79.22 -41.52 28.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' N ' ' CD1' ' A' ' 38' ' ' PHE . . . -95.04 -175.26 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.7 m -131.91 104.73 7.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.31 -137.17 7.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.512 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.3 mt -127.02 133.83 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -134.16 159.34 41.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.726 HD23 HG13 ' A' ' 33' ' ' VAL . 1.8 mt -116.65 109.11 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.59 85.85 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.516 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.522 HD13 ' CB ' ' A' ' 28' ' ' ALA . 93.3 mt -72.52 166.64 22.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -148.03 111.88 5.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 71' ' ' TYR . 3.1 mt -93.98 156.1 16.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.55 32.53 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.4 t -160.84 151.14 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.15 75.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -136.26 34.35 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.42 -148.64 5.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.53 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -145.83 -47.39 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -60.22 152.57 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -111.3 33.1 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.419 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 99.65 -38.29 3.17 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -130.29 146.05 51.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 111.047 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.0 t -127.85 139.92 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.7 -129.46 48.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -110.02 30.07 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -137.93 176.32 8.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.4 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -130.14 161.53 30.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 63' ' ' ARG . 42.7 m-85 -145.99 -49.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 13.7 p90 -145.93 -178.08 5.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.31 116.89 11.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.9 p -156.74 175.69 13.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -60.93 161.43 15.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -56.77 123.27 13.46 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.624 2.216 . . . . 0.0 112.276 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 61.7 61.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.605 ' O ' HD12 ' A' ' 48' ' ' LEU . 4.0 m-85 -133.65 -46.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.417 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -90.84 159.76 26.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 46' ' ' LEU . 21.9 m -139.2 176.37 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.174 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mp -144.21 129.24 18.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 m -141.69 179.63 2.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.087 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' ARG . 73.0 mtp85 -98.84 153.27 37.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.072 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.504 ' HA ' HG22 ' A' ' 80' ' ' VAL . 82.6 Cg_exo -45.79 -56.26 2.97 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.489 2.126 . . . . 0.0 111.35 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 p -55.87 -23.8 33.23 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.612 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -85.07 -13.26 50.93 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.566 179.043 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.628 HG21 ' CD1' ' A' ' 44' ' ' LEU . 16.6 m -119.24 134.47 62.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 CA-C-O 120.875 0.369 . . . . 0.0 111.368 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.859 0.362 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.08 170.82 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.86 126.24 30.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.987 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.49 34.08 6.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.4 m -104.6 177.82 4.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -127.66 118.04 23.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.31 156.23 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.559 HD12 ' C ' ' A' ' 26' ' ' GLU . 21.3 tp -116.99 150.43 38.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.7 mt -92.94 128.48 38.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.9 p -88.28 58.1 4.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -164.51 -57.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 m -97.71 -14.6 20.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.245 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m120 65.17 77.18 0.31 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.559 ' C ' HD12 ' A' ' 20' ' ' LEU . 4.1 mm-40 -155.03 133.74 12.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.801 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.1 mtt -80.44 150.46 29.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.97 148.01 27.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.2 m -92.16 139.08 30.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.032 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.0 128.18 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.146 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -107.29 -39.17 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -133.0 150.37 52.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.459 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.6 t -144.52 116.13 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.97 171.84 26.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.17 166.46 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.582 2.188 . . . . 0.0 112.307 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.484 HG22 ' CE1' ' A' ' 64' ' ' TYR . 48.4 p -123.66 175.96 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -103.43 -40.73 6.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -69.46 -44.19 71.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -119.83 174.12 6.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.084 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.13 174.69 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.03 -139.52 15.78 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.6 mp -135.6 126.57 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.06 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -122.08 172.5 8.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.459 ' CD2' HG13 ' A' ' 33' ' ' VAL . 8.3 mt -133.63 129.81 37.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.73 77.26 2.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.619 HD11 ' CG2' ' A' ' 75' ' ' VAL . 29.2 mt -66.52 159.9 26.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.333 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -142.88 120.21 11.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.563 HD12 ' O ' ' A' ' 71' ' ' TYR . 16.3 mt -100.46 169.08 9.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -107.92 31.58 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.444 ' CA ' ' CE2' ' A' ' 71' ' ' TYR . 73.3 p -162.23 158.06 23.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.765 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . . . -82.77 74.46 9.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -142.03 31.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.76 -135.22 6.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.555 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.0 -50.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.464 ' ND2' HD12 ' A' ' 74' ' ' LEU . 6.7 m-20 -80.95 171.05 15.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -107.71 -32.1 7.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.422 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 164.83 -29.94 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.504 ' HB2' ' CB ' ' A' ' 63' ' ' ARG . . . -139.9 160.4 39.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.807 0.337 . . . . 0.0 111.125 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.63 117.63 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.21 -126.67 8.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.436 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.74 29.99 5.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.24 148.38 18.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.504 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -118.09 150.9 38.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.962 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.484 ' CE1' HG22 ' A' ' 36' ' ' THR . 66.1 m-85 -114.11 -19.71 11.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.229 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.422 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 8.8 p90 -160.39 174.38 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.946 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.33 112.35 12.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.12 -174.8 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' CB ' ' HD2' ' A' ' 69' ' ' PRO . 10.4 mttt -70.55 167.32 27.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.401 ' HD2' ' CB ' ' A' ' 68' ' ' LYS . 37.9 Cg_endo -66.47 127.45 17.33 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.448 2.099 . . . . 0.0 112.23 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 64.22 45.23 4.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.765 ' CE1' ' HB2' ' A' ' 51' ' ' ALA . 4.0 m-85 -116.5 -45.23 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.68 176.8 30.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.6 m -150.75 169.72 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.184 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.464 HD12 ' ND2' ' A' ' 55' ' ' ASN . 8.1 mt -122.9 113.75 19.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.619 ' CG2' HD11 ' A' ' 46' ' ' LEU . 5.7 m -136.01 162.46 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -99.55 152.54 37.84 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.502 ' HA ' HG22 ' A' ' 80' ' ' VAL . 80.9 Cg_exo -45.19 -58.1 1.77 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.436 2.091 . . . . 0.0 111.355 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.27 -23.52 36.92 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.689 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.4 OUTLIER -85.26 -13.78 48.73 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.414 178.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 77' ' ' PRO . 21.8 m -120.26 169.36 11.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.065 0 CA-C-O 120.814 0.34 . . . . 0.0 111.176 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.502 HD22 HG21 ' A' ' 30' ' ' VAL . 1.7 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.809 0.338 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -165.56 36.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.597 ' HG2' HG23 ' A' ' 33' ' ' VAL . 26.4 mt-10 61.29 113.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.75 52.4 0.54 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -153.96 162.84 40.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -95.89 135.7 37.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.3 m -142.24 137.15 29.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.2 tp -96.87 156.45 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.511 HD23 HG12 ' A' ' 80' ' ' VAL . 41.2 mt -100.32 144.55 29.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.3 p -99.27 31.25 3.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.3 m -143.47 -47.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.42 -22.54 17.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.057 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.45 44.99 2.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.816 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -136.21 122.24 20.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.57 155.05 36.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.562 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -154.39 157.87 39.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.099 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 m -97.64 137.29 36.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.502 HG21 HD22 ' A' ' 13' ' ' LEU . 21.8 t -79.14 122.63 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.07 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -110.73 -31.31 7.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.984 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -141.03 136.09 31.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.976 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.597 HG23 ' HG2' ' A' ' 15' ' ' GLU . 25.6 t -132.51 128.16 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.23 -167.18 29.01 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.495 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.4 167.64 24.68 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.565 2.177 . . . . 0.0 112.273 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.0 p -130.17 155.22 46.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -80.14 -41.72 24.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.0 p90 -70.17 -40.43 74.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -111.9 -175.86 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.143 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.3 p -128.22 146.82 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.01 -129.67 9.92 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mt -126.83 143.35 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.848 0.356 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.401 ' CZ2' ' HB1' ' A' ' 39' ' ' ALA . 67.3 m95 -144.14 170.84 15.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.488 HD23 HG13 ' A' ' 33' ' ' VAL . 5.5 mt -135.03 116.82 15.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.43 75.56 1.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.61 156.37 36.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -138.86 107.11 5.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.562 HD23 ' HB2' ' A' ' 28' ' ' ALA . 6.0 mt -78.3 179.72 6.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.51 -31.57 11.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.4 m -111.11 -179.44 3.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.721 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . . . -96.15 103.47 15.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.56 30.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -118.88 -132.01 4.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -154.28 -46.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.629 ' OD1' HG22 ' A' ' 59' ' ' VAL . 25.0 m-80 -68.58 175.8 3.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -134.38 30.8 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.433 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 101.23 -54.7 0.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.489 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.61 149.17 28.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.754 0.312 . . . . 0.0 111.103 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.629 HG22 ' OD1' ' A' ' 55' ' ' ASN . 21.5 t -135.92 99.96 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.17 -121.19 5.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -109.26 30.05 6.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -140.94 175.65 9.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -135.02 166.09 23.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -150.95 -46.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.706 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.433 ' CD2' ' HA2' ' A' ' 57' ' ' GLY . 43.8 p90 -153.48 171.06 19.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 47.0 m -144.91 118.77 9.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 50.0 t -146.61 -70.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HB3' ' CD1' ' A' ' 71' ' ' TYR . 1.2 mtmm -174.26 169.76 1.8 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.13 119.82 7.3 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.65 2.233 . . . . 0.0 112.315 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 59.53 49.28 8.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.105 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.721 ' CE1' ' HB2' ' A' ' 51' ' ' ALA . 2.6 m-85 -114.1 -32.36 6.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.43 ' O ' HG13 ' A' ' 73' ' ' VAL . . . -111.18 -173.78 19.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.416 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 72' ' ' GLY . 15.4 m -156.65 162.65 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 111.123 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.73 107.08 12.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.01 162.71 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 14.1 mtt-85 -93.83 154.67 40.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.181 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.493 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 83.2 Cg_exo -46.13 -57.72 2.06 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.485 2.123 . . . . 0.0 111.266 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 p -56.34 -23.24 36.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.688 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 76' ' ' ARG . 11.9 mmt-85 -85.84 -12.55 50.51 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.454 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.511 HG12 HD23 ' A' ' 21' ' ' LEU . 15.6 m -119.95 130.91 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.064 0 CA-C-O 120.959 0.409 . . . . 0.0 111.268 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.921 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.807 0.337 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -145.37 -178.16 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -77.46 145.73 36.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.24 37.45 59.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.3 m -111.64 167.52 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -113.22 129.55 56.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.3 m -141.21 171.17 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.9 tp -134.93 145.61 48.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.473 HD13 ' HB2' ' A' ' 24' ' ' SER . 6.1 mt -90.66 122.34 33.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.7 p -66.03 -29.81 70.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.4 t -88.56 -65.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.473 ' HB2' HD13 ' A' ' 21' ' ' LEU . 1.3 m -59.35 -28.39 66.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t30 63.35 35.12 12.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -131.13 141.21 50.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.8 mmm -68.01 138.78 56.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.517 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -137.62 144.26 41.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.081 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.7 m -95.83 141.11 29.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -84.45 123.24 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.085 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -110.66 -31.01 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -147.08 153.03 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.601 HG13 ' CD2' ' A' ' 44' ' ' LEU . 22.0 t -147.67 109.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 175.04 -157.3 24.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.16 -170.69 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.567 2.178 . . . . 0.0 112.304 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.424 HG22 ' CZ ' ' A' ' 64' ' ' TYR . 1.1 p -146.49 152.67 39.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.96 40.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -159.27 -45.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.48 -25.74 14.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.235 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.4 m 61.85 89.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.54 -171.25 42.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.424 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.411 ' H ' HD12 ' A' ' 42' ' ' ILE . 3.7 mp -88.76 100.3 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 0.0 111.124 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.785 ' O ' HD23 ' A' ' 44' ' ' LEU . 78.3 m95 -113.96 175.64 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.785 HD23 ' O ' ' A' ' 43' ' ' TRP . 8.5 mt -142.05 103.94 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.78 89.17 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.551 HD12 HG23 ' A' ' 73' ' ' VAL . 74.6 mt -76.62 172.6 12.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.363 . . . . 0.0 111.02 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.66 113.87 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.3 mt -87.06 178.95 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.84 30.07 6.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.41 -173.58 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.36 74.82 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -136.93 31.27 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.23 -134.39 4.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.541 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.62 -46.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.585 ' OD1' HD12 ' A' ' 74' ' ' LEU . 2.4 m-80 -73.64 163.51 27.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -103.24 -30.23 10.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.87 -28.66 0.92 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.92 138.91 32.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.4 126.92 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.38 -126.97 8.09 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -109.37 30.12 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.734 0.302 . . . . 0.0 110.951 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -153.27 158.55 41.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -123.79 146.92 47.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.424 ' CZ ' HG22 ' A' ' 36' ' ' THR . 65.2 m-85 -112.14 -22.31 11.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.17 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -167.29 174.07 8.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.823 0.344 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -117.96 133.91 55.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.1 p -176.82 -176.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -86.93 171.06 10.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.03 124.19 15.66 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.512 2.142 . . . . 0.0 112.321 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 60.73 55.6 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.015 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' A' ' 68' ' ' LYS . 3.0 m-85 -116.16 -48.05 2.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.797 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.44 170.37 28.37 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.551 HG23 HD12 ' A' ' 46' ' ' LEU . 5.4 m -141.84 117.13 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.358 . . . . 0.0 111.174 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.585 HD12 ' OD1' ' A' ' 55' ' ' ASN . 2.9 mt -76.89 114.79 16.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.787 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.471 ' CG2' HD11 ' A' ' 46' ' ' LEU . 29.9 m -141.35 171.47 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.235 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 79' ' ' ARG . 39.8 mtp180 -106.6 159.09 31.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.488 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 79.6 Cg_exo -44.81 -54.4 4.21 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.537 2.158 . . . . 0.0 111.382 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.66 -23.27 27.21 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.822 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 76' ' ' ARG . 2.5 mmm180 -89.28 -11.53 43.24 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.684 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 6.3 m -123.92 125.24 70.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 CA-C-O 120.989 0.423 . . . . 0.0 111.283 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.29 -175.09 3.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.803 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -91.89 140.68 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.6 32.15 62.09 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -108.4 176.03 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.352 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -117.95 149.38 41.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.7 m -145.86 178.46 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.1 tp -143.43 131.41 21.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.4 HD23 HG12 ' A' ' 80' ' ' VAL . 55.8 mt -76.61 138.75 40.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 t -101.81 30.88 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.3 p -119.48 -54.45 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -124.67 15.63 8.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.286 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 53.38 87.24 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.87 0.367 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -154.37 121.23 5.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 93.3 mtp -77.3 156.27 31.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.835 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -159.95 155.56 25.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.1 m -97.76 132.34 43.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.13 127.91 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.155 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -116.06 -39.96 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -127.87 147.49 50.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.989 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.585 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.6 t -144.1 105.45 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.216 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.54 170.06 24.63 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.482 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.28 145.17 36.47 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.605 2.204 . . . . 0.0 112.289 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.635 HG22 ' CE1' ' A' ' 64' ' ' TYR . 11.2 p -102.23 -179.41 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -98.23 -39.51 8.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -66.76 -36.26 82.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -131.14 169.95 15.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.56 161.82 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.85 -135.18 12.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.08 146.51 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 111.089 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.516 ' O ' HD23 ' A' ' 44' ' ' LEU . 85.0 m95 -145.42 175.76 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.774 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.585 ' CD2' HG13 ' A' ' 33' ' ' VAL . 17.0 mt -145.53 110.07 5.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.91 85.67 0.67 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.388 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.835 HD13 ' HB3' ' A' ' 28' ' ' ALA . 74.1 mt -74.22 168.53 19.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -149.5 128.19 12.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 71' ' ' TYR . 13.1 mt -100.33 178.51 4.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 30.51 7.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.412 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -173.61 -175.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.42 81.33 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -141.09 33.96 1.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.37 -170.38 12.11 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.458 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -41.61 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.752 0.31 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -87.95 150.3 23.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -80.05 -24.09 40.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.068 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.41 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 165.39 -29.81 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' A' ' 62' ' ' LYS . . . -134.67 165.81 24.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.86 0.362 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.79 109.15 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.05 -130.67 10.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.504 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -110.03 30.05 7.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.748 0.309 . . . . 0.0 110.998 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.503 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 4.6 tttt -128.74 178.44 6.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.08 143.73 50.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.635 ' CE1' HG22 ' A' ' 36' ' ' THR . 94.9 m-85 -135.39 -56.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.41 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 5.1 p90 -138.47 162.33 34.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.6 m -120.69 119.11 31.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.3 p -162.39 176.09 10.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.19 169.46 11.68 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.7 124.82 16.62 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.57 2.18 . . . . 0.0 112.281 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 61.36 54.71 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.52 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.4 m-85 -122.85 -44.24 2.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.408 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -97.17 164.99 22.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.8 m -147.82 148.34 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -107.1 128.76 54.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.457 HG21 ' CG1' ' A' ' 80' ' ' VAL . 17.7 m -143.9 179.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' ARG . 12.5 mtm180 -109.9 152.54 43.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.632 ' HA ' HG22 ' A' ' 80' ' ' VAL . 83.6 Cg_exo -45.4 -53.69 5.2 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.485 2.124 . . . . 0.0 111.339 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.83 -23.55 31.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.783 178.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 76' ' ' ARG . 16.0 mmm-85 -89.3 -10.29 47.36 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.631 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.632 HG22 ' HA ' ' A' ' 77' ' ' PRO . 34.7 m -122.77 167.11 16.73 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 CA-C-O 120.904 0.383 . . . . 0.0 111.344 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.897 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.788 0.327 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -106.49 159.77 15.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -71.06 134.96 47.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.31 37.2 70.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.538 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -103.04 168.78 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -106.52 125.91 51.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.498 HG21 HD21 ' A' ' 46' ' ' LEU . 22.2 m -128.98 142.24 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.8 tp -104.08 145.24 30.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.08 139.1 31.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 t -98.73 31.47 2.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.26 -47.91 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 m -131.75 10.68 4.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.313 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 m120 54.7 83.99 0.07 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.81 0.338 . . . . 0.0 110.995 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.62 120.86 9.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 60.8 mmm -70.62 150.72 45.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.39 -179.94 7.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.3 m -126.98 125.85 42.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.431 ' HA ' HD23 ' A' ' 46' ' ' LEU . 21.6 t -77.11 124.51 35.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.182 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -111.54 -33.85 6.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -143.65 141.18 30.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.678 HG13 ' CD2' ' A' ' 44' ' ' LEU . 27.8 t -133.21 112.93 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.65 -172.59 40.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.43 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.06 175.85 7.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.626 2.217 . . . . 0.0 112.286 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.511 HG23 ' CD1' ' A' ' 43' ' ' TRP . 69.3 p -127.83 176.46 7.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -102.97 -31.26 10.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.571 ' CE2' HG11 ' A' ' 59' ' ' VAL . 52.9 p90 -78.28 -31.22 48.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -125.55 179.3 5.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.1 m -125.69 88.46 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.83 176.53 43.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mp -83.35 111.97 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 111.153 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.744 ' O ' HD23 ' A' ' 44' ' ' LEU . 85.0 m95 -115.17 179.64 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.744 HD23 ' O ' ' A' ' 43' ' ' TRP . 19.1 mt -145.27 125.28 13.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.7 80.2 1.59 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.527 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.498 HD21 HG21 ' A' ' 19' ' ' VAL . 85.1 mt -79.75 167.65 20.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.995 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -151.48 107.67 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.3 mt -73.31 165.7 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -100.67 32.23 3.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.06 173.54 1.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.8 97.0 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.04 30.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.38 179.81 16.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -110.6 -36.07 5.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -79.09 -179.38 6.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -133.2 29.97 3.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.427 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 95.41 -37.05 3.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.578 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -111.91 130.58 55.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.571 HG11 ' CE2' ' A' ' 38' ' ' PHE . 20.7 t -112.03 105.43 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.95 -113.08 4.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.0 24.34 13.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.754 0.312 . . . . 0.0 111.003 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -160.03 137.91 9.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.91 148.68 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -115.21 -10.72 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.337 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.427 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 21.2 p90 -162.94 158.82 22.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 m -110.05 137.45 47.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.831 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.2 p -176.7 178.54 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -80.47 169.22 20.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.4 122.98 12.19 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.612 2.208 . . . . 0.0 112.258 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 61.08 64.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -125.15 -61.04 1.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -93.37 161.3 25.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.444 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.5 m -134.04 179.54 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.353 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mp -130.89 120.49 23.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.469 HG22 HD12 ' A' ' 46' ' ' LEU . 4.6 m -139.46 171.05 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.052 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 79' ' ' ARG . 1.3 mtt180 -99.81 151.06 37.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.412 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 88.4 Cg_exo -45.93 -50.66 9.44 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.441 2.094 . . . . 0.0 111.346 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.46 -23.12 23.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.708 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.9 OUTLIER -91.33 -10.41 41.39 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.863 179.262 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 11.9 m -131.21 125.08 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 121.061 0.457 . . . . 0.0 111.594 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.1 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.845 179.83 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.532 ' CD1' HG11 ' A' ' 19' ' ' VAL . 46.7 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.782 0.325 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -101.99 175.42 5.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -77.6 114.14 16.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.12 36.03 1.55 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.406 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -122.54 173.62 7.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -122.66 135.78 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.532 HG11 ' CD1' ' A' ' 13' ' ' LEU . 28.4 m -137.83 143.2 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 tp -112.87 127.65 56.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.4 mt -67.68 145.01 55.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 t -99.0 31.08 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.3 m -141.66 -47.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.66 -21.81 17.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.054 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 67.37 42.62 2.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.876 0.369 . . . . 0.0 110.806 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -128.77 121.99 29.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 30.6 mtp -68.03 144.73 55.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.24 146.09 38.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.6 m -89.66 139.67 30.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.23 134.04 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.106 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -120.01 -45.89 2.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -131.54 145.62 51.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.638 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.4 t -145.52 100.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 177.6 -163.13 31.39 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.03 -174.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.602 2.201 . . . . 0.0 112.322 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.558 HG21 ' CD1' ' A' ' 43' ' ' TRP . 0.8 OUTLIER -147.73 171.83 15.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.46 -56.67 2.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.698 ' CD1' HG11 ' A' ' 59' ' ' VAL . 49.1 p90 -61.14 -35.75 77.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.09 -170.57 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.91 -177.34 3.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.7 -139.36 20.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.7 mt -131.26 134.54 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.897 0.38 . . . . 0.0 111.086 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.558 ' CD1' HG21 ' A' ' 36' ' ' THR . 84.1 m95 -131.49 166.84 20.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.638 ' CD2' HG13 ' A' ' 33' ' ' VAL . 25.2 mt -123.9 117.42 24.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.35 78.0 0.58 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.59 160.29 31.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.329 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -145.69 103.54 3.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.8 mt -80.62 163.97 23.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.24 30.95 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 p -170.63 154.37 4.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.79 86.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.066 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.03 31.91 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -122.89 -141.69 5.98 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -152.3 -47.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.547 ' OD1' HG22 ' A' ' 59' ' ' VAL . 58.7 m-80 -70.25 148.24 48.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -99.04 26.95 5.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.32 -42.19 2.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.23 112.27 22.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 111.196 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.698 HG11 ' CD1' ' A' ' 38' ' ' PHE . 21.5 t -98.07 106.58 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.5 -118.77 4.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.41 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -107.37 29.39 7.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.06 180.0 8.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.71 154.9 42.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -125.21 1.82 7.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.453 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -176.78 160.91 1.97 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -115.56 123.19 47.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.6 p -168.41 -177.28 3.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -80.88 168.77 22.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.34 120.98 8.17 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.468 2.112 . . . . 0.0 112.331 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 61.71 57.77 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 68' ' ' LYS . 4.0 m-85 -119.31 -48.18 2.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.799 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.09 173.04 32.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.497 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 m -152.56 158.91 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.45 124.75 51.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.821 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.426 HG21 ' CG1' ' A' ' 80' ' ' VAL . 3.8 m -135.31 179.48 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' ARG . 27.5 mtp85 -111.48 145.74 33.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.982 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.632 ' HA ' HG22 ' A' ' 80' ' ' VAL . 83.8 Cg_exo -45.6 -56.35 2.87 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.375 2.05 . . . . 0.0 111.315 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.5 t -56.15 -22.97 31.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.842 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 76' ' ' ARG . 52.7 mmm-85 -91.01 -8.84 47.98 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.666 179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.632 HG22 ' HA ' ' A' ' 77' ' ' PRO . 35.0 m -123.01 167.0 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.075 0 CA-C-O 120.886 0.374 . . . . 0.0 111.131 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.003 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -110.31 146.64 35.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.03 139.33 58.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.86 28.81 22.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.525 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.99 179.15 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.348 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -119.29 121.98 40.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.7 m -119.23 154.4 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.2 tp -117.62 130.29 56.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -72.81 144.64 47.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.48 31.67 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.0 m -151.13 -47.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -87.4 -20.43 26.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 62.96 45.34 5.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 110.826 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.93 137.83 38.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.806 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.6 mtp -76.93 136.8 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.461 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -129.52 145.4 51.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.056 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.6 m -88.85 132.06 34.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.96 129.21 37.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.095 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -116.55 -39.1 3.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -130.55 150.13 51.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.721 HG13 ' CD2' ' A' ' 44' ' ' LEU . 22.1 t -150.12 104.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.052 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.19 -179.16 39.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.582 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.12 155.92 8.29 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.631 2.221 . . . . 0.0 112.359 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.556 HG22 ' CE2' ' A' ' 64' ' ' TYR . 70.5 p -122.02 -178.71 3.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.36 -45.29 3.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -63.96 -38.75 92.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.5 170.73 9.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.7 p -112.5 111.64 22.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.7 -162.87 28.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.9 mp -108.0 106.7 21.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.686 ' O ' HD23 ' A' ' 44' ' ' LEU . 49.2 m95 -110.59 173.42 6.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.73 HD12 HG21 ' A' ' 80' ' ' VAL . 13.3 mt -132.38 121.5 23.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.66 78.79 0.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.392 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.461 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 39.2 mt -73.35 171.25 13.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.995 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.74 132.85 14.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 71' ' ' TYR . 14.2 mt -105.06 172.27 6.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -108.82 31.22 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.6 p -168.66 170.44 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.54 90.46 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -154.3 36.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.14 -162.84 11.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.538 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.21 -51.25 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.735 0.302 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -77.98 147.54 34.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -98.66 31.42 2.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.415 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 100.61 -28.33 16.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.451 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.37 137.79 52.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.802 0.334 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.83 100.15 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.08 -116.62 4.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.421 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.93 30.01 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -159.97 157.59 29.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.24 149.22 52.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.556 ' CE2' HG22 ' A' ' 36' ' ' THR . 4.4 m-85 -118.0 -6.23 10.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.387 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CE2' ' HA3' ' A' ' 72' ' ' GLY . 14.9 p90 -170.96 163.56 7.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.93 129.23 56.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.8 p -173.8 -178.9 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.47 167.19 38.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.3 122.27 11.2 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.564 2.176 . . . . 0.0 112.282 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 62.28 62.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.504 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.6 m-85 -125.78 -52.11 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.419 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -91.32 177.8 41.21 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.0 m -150.5 165.75 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 0.0 111.235 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.0 119.56 25.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.487 HG21 ' CG1' ' A' ' 80' ' ' VAL . 5.5 m -137.27 179.89 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.076 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 79' ' ' ARG . 27.6 mtm105 -109.56 156.36 39.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -45.32 -51.26 8.07 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.524 2.149 . . . . 0.0 111.374 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 m -55.33 -22.98 21.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.785 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 76' ' ' ARG . 5.2 mtt180 -93.84 -10.1 35.15 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.961 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.73 HG21 HD12 ' A' ' 44' ' ' LEU . 12.6 m -133.64 124.88 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-O 121.061 0.457 . . . . 0.0 111.544 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.843 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.803 0.335 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -132.79 156.98 46.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -66.68 108.71 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.0 29.72 4.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.65 163.93 14.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -112.42 108.59 17.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -119.39 167.63 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.451 HD12 ' C ' ' A' ' 26' ' ' GLU . 10.2 tp -132.38 137.02 47.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 mt -72.79 152.3 41.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -106.65 32.68 4.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 m -143.22 -47.57 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.816 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.7 m -94.98 -19.15 20.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.1 t30 67.43 37.87 3.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.827 0.346 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' C ' HD12 ' A' ' 20' ' ' LEU . 4.0 mm-40 -125.76 134.29 51.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.43 ' N ' HD12 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -78.02 158.65 29.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.57 149.53 23.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.6 m -86.65 142.59 28.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.12 134.48 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -116.94 -40.04 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -138.57 153.88 48.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.488 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.6 t -147.48 127.64 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.0 178.79 17.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.33 170.39 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.566 2.177 . . . . 0.0 112.256 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.425 ' OG1' ' HB3' ' A' ' 39' ' ' ALA . 40.8 p -121.92 -172.93 2.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.26 -31.04 9.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 39' ' ' ALA . 15.1 p90 -91.01 -31.45 16.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.444 ' N ' ' CD1' ' A' ' 38' ' ' PHE . . . -106.67 178.33 4.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.5 59.49 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.77 -128.99 1.3 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.7 mp -141.11 116.15 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 111.189 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -123.71 169.62 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.529 ' CD1' HG21 ' A' ' 80' ' ' VAL . 18.6 mt -125.71 126.64 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.36 85.7 1.33 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.541 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.3 mt -79.3 164.26 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -148.89 110.39 4.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 71' ' ' TYR . 25.9 mt -80.15 -179.97 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -97.28 -33.91 11.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.934 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.8 p -115.74 177.49 4.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.753 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . . . -77.97 89.23 4.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.99 48.38 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.33 -161.27 8.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.66 31.73 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.805 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.502 ' ND2' HD12 ' A' ' 74' ' ' LEU . 56.6 m-20 -133.01 178.1 7.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -134.46 31.18 3.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.415 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 91.35 -51.37 3.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -130.69 164.84 24.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 111.133 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -151.97 123.18 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.1 -134.39 12.45 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -108.56 30.08 6.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -144.59 170.25 16.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.17 151.5 42.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.432 ' HB2' ' CD1' ' A' ' 65' ' ' PHE . 23.5 m-85 -130.77 -48.28 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 64' ' ' TYR . 8.3 p90 -152.72 166.3 32.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.85 117.9 29.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.3 p -156.3 -177.11 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -81.35 163.0 56.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.19 117.94 4.09 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.488 2.125 . . . . 0.0 112.314 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 62.59 61.26 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.753 ' CE1' ' HB2' ' A' ' 51' ' ' ALA . 4.8 m-85 -128.24 -47.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -87.75 175.61 45.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 m -148.95 146.94 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 111.167 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.502 HD12 ' ND2' ' A' ' 55' ' ' ASN . 0.8 OUTLIER -112.75 113.3 25.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.1 m -127.85 167.84 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -97.58 154.37 37.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.006 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.607 ' HA ' HG22 ' A' ' 80' ' ' VAL . 88.2 Cg_exo -46.2 -53.01 6.38 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.432 2.088 . . . . 0.0 111.21 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 p -56.05 -23.56 34.14 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.783 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' ARG . 26.3 mmt85 -87.91 -11.32 47.97 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.517 179.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.607 HG22 ' HA ' ' A' ' 77' ' ' PRO . 35.7 m -122.53 169.88 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.066 0 CA-C-O 120.9 0.381 . . . . 0.0 111.181 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.802 0.334 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -132.6 47.54 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 60.9 113.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.22 39.91 1.0 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 m -138.33 169.51 17.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.791 0.329 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -105.75 137.47 43.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.608 HG21 HD21 ' A' ' 46' ' ' LEU . 17.2 m -143.98 149.21 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 26' ' ' GLU . 8.5 tp -115.83 142.76 46.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.6 mt -81.64 146.93 29.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.793 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.1 p -83.9 -24.47 30.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 m -93.1 -73.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -58.1 -26.56 62.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.96 38.05 8.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.754 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.51 ' C ' HD12 ' A' ' 20' ' ' LEU . 1.3 mm-40 -123.88 143.15 50.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.0 mtp -75.76 148.96 38.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.699 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -148.0 146.83 29.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 m -90.42 137.24 32.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.64 114.21 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -108.04 -30.48 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -146.26 138.29 25.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.5 134.55 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.48 178.26 16.42 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.98 173.03 11.76 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.587 2.192 . . . . 0.0 112.288 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.3 p -122.64 168.5 12.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -31.53 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' A' ' 39' ' ' ALA . 55.6 p90 -81.9 -46.72 13.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.422 ' N ' ' CD2' ' A' ' 38' ' ' PHE . . . -111.57 155.63 23.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.56 143.26 33.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.81 -131.09 6.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.433 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.9 mt -135.36 125.8 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -131.12 140.94 50.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.703 HD11 ' N ' ' A' ' 77' ' ' PRO . 0.6 OUTLIER -113.63 106.62 14.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.42 77.87 0.13 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.699 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 43.8 mt -70.88 166.98 19.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -147.2 120.11 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.6 mt -95.45 162.68 13.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.8 -32.94 35.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.3 p -114.0 172.75 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.83 106.74 5.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -155.63 31.37 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -131.71 -170.99 12.73 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -138.43 31.19 2.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.859 0.362 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -145.76 149.69 34.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -98.42 30.75 3.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.439 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 66.81 26.27 73.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.54 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -160.05 135.76 8.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.0 107.87 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.88 -138.07 16.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -98.77 30.06 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.68 169.52 17.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -130.33 161.91 30.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -132.48 -56.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.439 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 11.7 p90 -136.68 168.51 19.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.7 m -121.54 125.75 47.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.1 p -166.95 -179.31 4.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -73.51 164.73 58.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.986 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.44 121.71 10.42 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.527 2.151 . . . . 0.0 112.278 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 60.98 56.73 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.42 ' CD2' ' HB2' ' A' ' 68' ' ' LYS . 3.6 m-85 -120.08 -43.63 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.71 174.18 27.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.5 m -140.95 162.63 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.827 0.346 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.1 mt -122.44 105.1 9.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.485 ' O ' HD12 ' A' ' 44' ' ' LEU . 5.3 m -127.63 176.64 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -106.28 153.77 40.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.995 -179.892 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.807 ' HA ' HG22 ' A' ' 80' ' ' VAL . 85.7 Cg_exo -46.78 -52.04 8.2 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.368 2.045 . . . . 0.0 111.194 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.0 m -56.0 -22.97 29.99 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.833 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' ARG . 1.6 mmp_? -92.15 -9.22 43.23 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.798 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.807 HG22 ' HA ' ' A' ' 77' ' ' PRO . 11.1 m -121.97 134.07 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 CA-C-O 120.942 0.401 . . . . 0.0 111.489 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.792 0.329 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -113.89 -66.78 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -178.2 152.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 59.61 28.89 65.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.499 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 m -99.94 168.05 10.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -109.04 148.84 30.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 m -151.68 175.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.498 HD11 ' C ' ' A' ' 25' ' ' ASN . 49.0 tp -137.4 131.8 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.5 mt -73.41 145.27 45.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 t -98.71 31.44 2.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -131.72 -46.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.4 m -113.53 -8.51 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.259 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.498 ' C ' HD11 ' A' ' 20' ' ' LEU . 2.9 m120 63.1 35.02 13.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -106.7 131.27 54.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 33.0 mtp -71.91 149.53 45.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -148.85 149.96 32.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.6 m -97.47 133.08 42.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.06 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.01 115.09 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -99.16 -34.86 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.04 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -143.4 143.1 31.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.638 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.7 t -133.23 114.58 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.19 -169.34 40.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.24 179.84 3.66 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.609 2.206 . . . . 0.0 112.313 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.818 HG22 ' CE2' ' A' ' 64' ' ' TYR . 14.1 p -131.87 -178.56 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.78 -30.31 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.429 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 44.9 p90 -83.07 -33.22 26.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.934 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.15 -37.84 4.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.174 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.37 105.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.782 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.658 ' O ' HD13 ' A' ' 42' ' ' ILE . . . 168.08 -114.65 0.58 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.658 HD13 ' O ' ' A' ' 41' ' ' GLY . 24.3 mm -137.16 100.93 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 111.119 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.696 ' O ' HD23 ' A' ' 44' ' ' LEU . 59.1 m95 -126.7 179.98 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.696 HD23 ' O ' ' A' ' 43' ' ' TRP . 7.5 mt -143.39 127.13 17.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.09 91.92 1.14 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.529 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 74.8 mt -81.61 163.87 22.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -153.03 137.44 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.674 HD12 ' O ' ' A' ' 71' ' ' TYR . 9.1 mt -120.53 173.55 7.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.93 36.21 3.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.0 t -170.64 174.35 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.64 68.12 5.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.05 33.23 4.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.937 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.74 -161.4 8.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.547 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.18 42.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 0.0 110.829 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.422 ' OD1' HG22 ' A' ' 59' ' ' VAL . 5.1 m-20 -158.0 141.38 15.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -99.19 26.79 5.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.424 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 93.56 -41.86 2.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.59 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.98 137.62 42.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.619 HG21 HD11 ' A' ' 74' ' ' LEU . 22.8 t -127.11 117.88 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.071 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.66 -116.07 8.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -110.0 25.75 11.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.05 157.87 29.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.864 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 ptt-85 -126.84 145.04 50.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.983 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.818 ' CE2' HG22 ' A' ' 36' ' ' THR . 35.4 m-85 -112.25 -16.34 13.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.424 ' CD2' ' HA2' ' A' ' 57' ' ' GLY . 15.5 p90 -161.84 166.88 25.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.7 m -115.52 125.81 53.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.5 p -164.88 -174.82 3.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -90.02 170.32 10.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.89 119.72 7.06 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.502 2.135 . . . . 0.0 112.275 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 63.91 51.88 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.674 ' O ' HD12 ' A' ' 48' ' ' LEU . 8.5 m-85 -118.94 -41.95 2.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.77 169.86 19.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.8 m -143.3 158.12 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 111.113 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 59' ' ' VAL . 8.4 mt -112.71 124.0 51.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.2 m -150.0 161.88 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 79' ' ' ARG . 18.3 mtt180 -97.38 159.31 31.5 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.57 ' HA ' HG22 ' A' ' 80' ' ' VAL . 85.2 Cg_exo -44.6 -55.84 3.01 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.509 2.139 . . . . 0.0 111.449 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 m -55.75 -23.21 28.03 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.896 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.9 OUTLIER -89.58 -10.13 47.21 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.718 179.173 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.57 HG22 ' HA ' ' A' ' 77' ' ' PRO . 24.3 m -121.96 138.18 53.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 CA-C-O 120.967 0.413 . . . . 0.0 111.337 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.483 HD22 HD22 ' A' ' 44' ' ' LEU . 4.5 mp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.82 0.343 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -87.56 -175.99 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -82.32 120.3 25.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.49 50.6 2.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -120.77 164.63 16.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -107.33 120.44 42.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.452 HG11 ' CD2' ' A' ' 13' ' ' LEU . 20.8 m -130.75 164.03 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.2 tp -120.17 154.0 35.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.0 mt -99.53 142.82 30.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -98.64 28.81 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.2 m -134.06 -46.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.764 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.2 m -103.48 -20.08 14.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 t30 67.83 41.81 2.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.938 0.399 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -127.99 137.54 52.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.86 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.39 159.91 32.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.536 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -158.22 141.57 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m -87.9 133.82 33.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.01 124.66 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.152 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -111.12 -41.48 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -131.92 153.57 50.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.515 HG22 HD23 ' A' ' 44' ' ' LEU . 21.4 t -152.0 138.38 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.89 -155.36 21.2 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.6 173.77 10.34 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.551 2.167 . . . . 0.0 112.281 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.7 p -139.65 -178.54 5.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -119.41 31.57 6.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.412 ' CD2' ' N ' ' A' ' 39' ' ' ALA . 54.9 p90 -149.16 -46.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.412 ' N ' ' CD2' ' A' ' 38' ' ' PHE . . . -93.5 -27.31 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.92 35.66 10.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.804 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -139.4 -163.54 9.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.3 mt -96.27 104.61 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 111.07 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -125.9 167.52 15.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.515 HD23 HG22 ' A' ' 33' ' ' VAL . 1.4 mp -128.09 120.77 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.72 69.0 0.58 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.536 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 81.4 mt -62.06 155.48 23.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.818 0.342 . . . . 0.0 110.972 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.29 107.64 5.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.409 ' CD2' ' HB2' ' A' ' 28' ' ' ALA . 4.4 mt -85.29 160.17 19.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.93 36.95 1.47 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 m -170.15 148.29 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.78 97.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -162.1 35.48 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -124.92 -149.66 7.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.548 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -147.59 31.53 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.787 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.413 ' ND2' HD12 ' A' ' 74' ' ' LEU . 72.6 m-80 -156.7 152.79 27.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -89.33 -31.57 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.418 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 159.33 -27.83 0.38 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.499 ' HB2' ' HD2' ' A' ' 63' ' ' ARG . . . -125.11 152.59 44.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.56 127.01 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.76 -127.69 36.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.9 29.93 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -143.29 154.98 44.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.499 ' HD2' ' HB2' ' A' ' 58' ' ' ALA . 1.3 tpp180 -107.4 159.83 16.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -139.83 -48.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.418 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 7.8 p90 -150.06 179.08 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 t -136.22 124.06 22.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.0 p -167.56 -178.06 3.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.55 173.42 3.45 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.21 119.77 7.21 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.579 2.186 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 61.69 50.35 4.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.021 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -108.86 -31.61 7.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.33 160.93 13.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.6 m -138.41 167.25 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.413 HD12 ' ND2' ' A' ' 55' ' ' ASN . 1.9 mp -125.62 115.71 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.492 ' O ' HD12 ' A' ' 44' ' ' LEU . 5.3 m -129.94 173.86 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.003 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 4.4 mtt180 -91.65 147.11 34.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.606 ' HA ' HG22 ' A' ' 80' ' ' VAL . 83.3 Cg_exo -46.18 -50.71 9.64 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.349 2.033 . . . . 0.0 111.144 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.2 p -56.19 -24.04 39.22 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.69 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 76' ' ' ARG . 14.6 mmm-85 -86.43 -11.4 51.98 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.517 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.606 HG22 ' HA ' ' A' ' 77' ' ' PRO . 28.9 m -122.04 164.22 19.32 Favored 'Isoleucine or valine' 0 C--N 1.338 0.07 0 CA-C-O 120.927 0.394 . . . . 0.0 111.178 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.467 HD13 HG21 ' A' ' 30' ' ' VAL . 21.2 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.816 0.341 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.06 34.6 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 60.52 110.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.9 34.79 1.21 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.89 168.62 17.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.354 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -100.46 145.58 28.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.1 m -147.27 167.46 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.0 tp -131.72 141.05 49.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.775 HD23 HG12 ' A' ' 80' ' ' VAL . 13.1 mt -89.73 149.48 22.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.44 31.3 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.8 m -138.64 -47.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -100.46 -16.21 17.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 m120 61.61 41.02 12.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.929 0.395 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -126.6 129.09 47.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.8 mtp -67.0 156.9 34.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.471 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -156.03 155.77 33.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.7 m -96.78 142.04 29.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.467 HG21 HD13 ' A' ' 13' ' ' LEU . 26.7 t -84.04 124.78 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.03 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -112.17 -35.11 5.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -140.53 153.63 46.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.772 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.9 t -145.05 121.65 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.93 -158.86 27.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.17 -175.87 1.4 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.565 2.177 . . . . 0.0 112.297 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.899 HG22 ' CZ ' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -133.37 177.38 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -96.36 -30.44 13.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -103.48 31.32 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -174.67 166.58 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.69 86.74 2.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.24 -137.14 2.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -123.14 136.8 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -146.68 168.83 20.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.772 ' CD2' HG13 ' A' ' 33' ' ' VAL . 7.7 mt -138.74 104.81 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.953 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.59 89.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' A' ' 28' ' ' ALA . 64.2 mt -76.89 175.58 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -157.11 113.98 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 71' ' ' TYR . 1.7 mt -88.24 175.26 7.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -92.72 -33.02 14.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.17 175.89 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.19 94.03 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.022 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -146.1 37.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.08 -170.98 12.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -129.22 31.21 4.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -136.22 153.92 51.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -112.92 30.06 7.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.416 ' HA2' ' CD1' ' A' ' 65' ' ' PHE . . . 91.57 -47.32 2.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.577 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.77 127.14 55.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.66 111.98 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.46 -122.32 12.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.78 29.98 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -158.58 175.32 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -148.51 144.8 27.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.899 ' CZ ' HG22 ' A' ' 36' ' ' THR . 42.4 m-85 -111.32 -18.89 12.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.416 ' CD1' ' HA2' ' A' ' 57' ' ' GLY . 16.4 p90 -159.35 156.25 28.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.97 102.27 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 p -144.64 -175.2 4.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.998 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -80.71 169.22 20.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.15 118.73 5.32 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.55 2.166 . . . . 0.0 112.275 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 62.01 52.58 3.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.055 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.662 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.7 m-85 -114.3 -36.26 4.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.781 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.79 175.05 16.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.52 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.8 m -146.6 163.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.312 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.621 HD11 ' CD1' ' A' ' 64' ' ' TYR . 1.6 mt -114.75 116.23 28.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.488 HG21 ' CG1' ' A' ' 80' ' ' VAL . 14.2 m -134.86 169.49 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.461 ' O ' HG22 ' A' ' 80' ' ' VAL . 16.9 mtm105 -103.08 153.67 38.16 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.037 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.483 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 81.3 Cg_exo -44.93 -54.98 3.7 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.518 2.145 . . . . 0.0 111.325 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.75 -23.36 28.92 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.844 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 76' ' ' ARG . 2.3 mmp_? -89.85 -10.3 45.84 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.61 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.775 HG12 HD23 ' A' ' 21' ' ' LEU . 5.5 m -124.54 125.27 69.89 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 CA-C-O 120.922 0.391 . . . . 0.0 111.303 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.863 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.03 112.1 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.5 31.99 20.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.18 77.92 1.21 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m -126.55 -62.05 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -131.67 113.29 13.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.71 15.99 7.74 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.697 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 56.11 176.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.798 0.332 . . . . 0.0 111.082 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.51 99.81 0.2 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -99.0 35.08 1.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 0.0 110.967 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -89.64 97.61 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -119.05 74.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 25.4 mt -145.2 120.52 10.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -126.21 -54.13 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -179.35 159.91 0.96 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.93 28.32 68.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.624 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 m -104.78 166.32 10.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.358 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -123.78 128.57 49.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.685 HG12 ' HB3' ' A' ' 82' ' ' TYR . 6.6 m -134.69 145.51 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.452 HD12 ' C ' ' A' ' 26' ' ' GLU . 21.0 tp -110.16 131.97 54.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.33 140.94 58.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -98.76 33.29 2.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.49 -47.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -94.8 -19.18 20.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.0 m120 63.01 55.81 1.91 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.02 0.438 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.452 ' C ' HD12 ' A' ' 20' ' ' LEU . 7.8 mm-40 -141.8 124.12 15.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.7 mtp -60.0 154.07 19.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -153.32 138.28 17.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.7 m -87.41 132.38 34.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.91 120.4 32.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.174 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -107.7 -50.27 3.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 33' ' ' VAL . 48.9 t80 -115.53 157.11 24.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.565 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.5 t -150.91 125.86 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.81 -176.0 21.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.12 154.72 66.03 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.501 2.134 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.5 p -108.14 172.46 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.02 -30.99 11.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.48 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 55.5 p90 -75.18 -31.2 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.967 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.78 170.71 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.2 p -108.71 90.8 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.3 175.16 28.91 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.3 mm -81.45 145.68 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.364 . . . . 0.0 111.069 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.44 ' HB3' HD22 ' A' ' 74' ' ' LEU . 85.4 m95 -142.34 175.09 10.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.565 ' CD2' HG13 ' A' ' 33' ' ' VAL . 17.5 mt -139.21 107.5 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.91 97.75 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.521 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.486 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 93.9 mt -91.56 157.73 16.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -144.61 116.4 8.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 71' ' ' TYR . 14.3 mt -93.81 166.69 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -98.36 35.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.0 t -175.9 174.38 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.37 86.13 7.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -143.65 35.96 1.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.81 -158.89 8.13 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.551 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -142.02 30.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.864 0.364 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -134.0 155.04 50.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -110.43 33.02 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.41 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 97.73 -44.5 1.83 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.462 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . . . -136.72 156.31 48.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.43 114.37 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.18 -130.78 10.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -106.87 30.05 6.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.02 129.56 27.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.462 ' HG3' ' HB2' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -96.73 129.97 44.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.453 ' HH ' ' HE1' ' A' ' 38' ' ' PHE . 47.6 m-85 -113.02 -31.31 6.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.412 ' HD2' ' HG ' ' A' ' 67' ' ' CYS . 15.2 p90 -171.22 179.8 2.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.8 t -133.83 119.02 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.412 ' HG ' ' HD2' ' A' ' 65' ' ' PHE . 22.1 p -161.5 173.45 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.443 ' CB ' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -61.35 167.47 4.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.94 124.51 15.87 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.668 2.245 . . . . 0.0 112.258 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.7 m120 61.78 51.28 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.067 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.471 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.4 m-85 -112.38 -50.22 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.38 171.67 31.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.449 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.6 m -143.11 163.02 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.76 0.314 . . . . 0.0 111.196 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.48 HD13 ' CZ ' ' A' ' 38' ' ' PHE . 7.3 mt -118.48 119.78 35.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.433 HG22 HD12 ' A' ' 46' ' ' LEU . 3.1 m -139.16 166.15 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -98.96 152.41 37.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.581 ' HA ' HG22 ' A' ' 80' ' ' VAL . 84.1 Cg_exo -45.87 -56.87 2.52 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.476 2.117 . . . . 0.0 111.277 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.53 -23.46 40.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.719 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.5 OUTLIER -87.08 -11.77 49.2 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.424 179.015 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.581 HG22 ' HA ' ' A' ' 77' ' ' PRO . 27.4 m -121.73 170.28 12.04 Favored 'Isoleucine or valine' 0 C--O 1.23 0.078 0 CA-C-O 120.874 0.369 . . . . 0.0 111.24 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.07 167.24 23.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.961 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.685 ' HB3' HG12 ' A' ' 19' ' ' VAL . 2.4 p90 -171.18 142.45 1.77 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 -65.57 177.01 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.826 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -163.0 -42.9 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.8 pt -57.32 166.28 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 p -105.75 -66.0 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.74 177.03 41.14 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.543 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.08 126.67 20.93 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.575 2.183 . . . . 0.0 112.319 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.9 p -69.95 -31.89 69.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 69.7 m -72.66 148.04 45.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.814 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.387 -1.23 . . . . 0.0 112.493 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 m 60.44 32.81 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.91 -47.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.88 110.03 1.17 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 t -89.79 99.39 12.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -173.32 132.85 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.01 -75.44 1.0 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.555 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -124.72 158.26 33.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.758 0.313 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.01 -56.68 0.41 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.31 130.81 50.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.1 t -127.81 133.08 68.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' O ' HG11 ' A' ' 33' ' ' VAL . 0.9 OUTLIER -74.04 128.25 35.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.623 HD22 HD13 ' A' ' 44' ' ' LEU . 2.8 mp 60.02 -178.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -174.6 165.73 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.73 99.41 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 127.66 48.05 0.17 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.564 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 m -133.39 163.79 28.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 0.0 110.781 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -117.96 114.48 23.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.54 HG21 HD21 ' A' ' 46' ' ' LEU . 31.0 m -114.79 169.5 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.1 tp -138.55 149.25 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.84 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.667 HD23 HG12 ' A' ' 80' ' ' VAL . 44.1 mt -94.9 125.2 39.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t -68.87 -32.53 72.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.63 48.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.806 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.29 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.1 m120 62.56 49.58 3.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.813 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -131.71 106.62 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.2 mtp -59.97 148.32 35.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.493 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . . . -152.81 149.84 28.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.084 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.7 m -88.76 143.23 27.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.08 129.15 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.097 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -109.43 -41.81 4.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -130.47 150.58 51.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.602 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.5 t -139.21 108.21 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.92 -177.59 37.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.423 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.1 -178.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.582 2.188 . . . . 0.0 112.411 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.681 HG22 ' HE2' ' A' ' 64' ' ' TYR . 36.9 p -132.94 162.97 30.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -81.28 -36.13 30.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -85.18 -44.95 12.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.459 ' HB3' ' OG1' ' A' ' 36' ' ' THR . . . -101.27 178.35 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.2 t -137.46 96.56 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 172.39 -137.57 4.31 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.4 mt -117.94 105.84 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.342 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.408 ' CD2' ' HG2' ' A' ' 76' ' ' ARG . 58.8 m95 -126.19 159.72 32.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.623 HD13 HD22 ' A' ' 13' ' ' LEU . 10.3 mt -127.48 124.65 38.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.78 85.65 0.65 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.527 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.54 HD21 HG21 ' A' ' 19' ' ' VAL . 86.6 mt -72.57 166.5 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -146.02 100.96 3.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' CD2' ' HB2' ' A' ' 28' ' ' ALA . 17.9 mt -82.31 161.11 22.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.68 -31.01 15.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.3 t -91.45 167.23 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.77 80.22 4.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -151.01 33.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.822 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.08 -166.88 22.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -131.01 30.96 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -156.54 154.36 30.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.35 -32.86 10.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 159.52 -28.81 0.38 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.71 ' HB2' ' HD2' ' A' ' 63' ' ' ARG . . . -133.44 146.9 51.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 111.069 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.16 127.06 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.38 -130.95 26.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.79 30.0 6.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.46 155.91 41.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.71 ' HD2' ' HB2' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -109.48 160.87 15.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.681 ' HE2' HG22 ' A' ' 36' ' ' THR . 49.6 m-85 -132.2 -46.71 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -152.98 171.33 18.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.78 103.32 9.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.89 -174.4 4.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 166.01 38.01 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.5 127.76 26.71 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.617 2.211 . . . . 0.0 112.274 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m120 61.61 60.56 1.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.029 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -130.74 -57.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -85.52 161.53 35.43 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.7 m -135.73 155.13 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.048 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.518 HD21 ' CD2' ' A' ' 64' ' ' TYR . 0.9 OUTLIER -113.95 116.58 29.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.509 HG21 ' CG1' ' A' ' 80' ' ' VAL . 5.5 m -133.43 175.46 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 79' ' ' ARG . 5.5 mtt180 -109.29 151.87 42.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.418 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 84.5 Cg_exo -45.51 -51.38 8.09 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.488 2.125 . . . . 0.0 111.304 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.3 m -55.49 -22.79 22.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.807 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 76' ' ' ARG . 5.3 mmt180 -95.41 -6.88 39.89 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.941 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.667 HG12 HD23 ' A' ' 21' ' ' LEU . 16.5 m -133.69 126.16 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-O 120.963 0.411 . . . . 0.0 111.651 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 46.7 m -120.8 130.37 53.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -118.34 162.0 19.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.037 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -121.25 -47.03 2.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.72 126.57 5.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.565 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 pt -81.78 -29.53 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.791 0.329 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.4 t -155.35 31.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -105.59 -141.27 10.53 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.437 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.06 155.28 70.16 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.438 2.092 . . . . 0.0 112.261 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.3 p -62.06 -58.02 9.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.33 -46.7 2.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.437 -1.202 . . . . 0.0 112.489 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -144.35 128.08 17.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.95 92.36 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.61 73.87 0.17 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m -99.23 36.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -63.07 -171.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.84 -43.19 1.24 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -110.4 148.2 32.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.44 -71.78 0.22 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.86 -175.6 2.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.354 . . . . 0.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.8 t 58.83 84.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -101.04 176.3 5.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.502 ' O ' HG11 ' A' ' 33' ' ' VAL . 25.6 mt -79.64 109.93 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.983 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -121.43 -57.68 1.82 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -160.08 133.34 6.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.819 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.76 53.25 28.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.44 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 30' ' ' VAL . 43.6 m -119.7 149.59 41.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -96.04 115.12 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.8 m -129.33 152.0 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.508 HD12 ' C ' ' A' ' 26' ' ' GLU . 21.7 tp -111.89 147.36 35.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.638 HD23 HG12 ' A' ' 80' ' ' VAL . 26.9 mt -91.46 135.72 33.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.797 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.698 HG22 ' O ' ' A' ' 79' ' ' ARG . 4.0 t -79.43 -25.97 41.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.6 p -93.89 -47.47 6.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.099 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.431 ' HB2' HD12 ' A' ' 21' ' ' LEU . 2.1 m -79.1 -29.64 43.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.051 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.8 t30 63.57 42.43 6.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.508 ' C ' HD12 ' A' ' 20' ' ' LEU . 3.3 mm-40 -142.14 133.37 26.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.42 ' HG2' HD13 ' A' ' 20' ' ' LEU . 6.8 mtp -66.18 158.46 28.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.488 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -159.12 165.58 33.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.6 m -102.81 132.54 48.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 17' ' ' SER . 21.7 t -81.69 127.17 39.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.135 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -112.87 -48.34 3.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -116.8 143.63 45.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.502 HG11 ' O ' ' A' ' 13' ' ' LEU . 21.6 t -147.61 111.36 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.61 -158.62 30.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.534 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.9 158.51 56.52 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.575 2.183 . . . . 0.0 112.344 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.4 p -117.62 177.65 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -110.86 -32.97 6.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -79.22 -31.83 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -123.21 -176.52 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 p -130.27 89.83 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.45 -160.85 33.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.399 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.2 mt -101.46 121.93 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.656 ' O ' HD23 ' A' ' 44' ' ' LEU . 56.8 m95 -130.61 177.56 7.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 43' ' ' TRP . 8.5 mt -140.89 135.75 31.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.37 85.56 1.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.532 ' CD1' HD21 ' A' ' 21' ' ' LEU . 78.8 mt -72.91 164.66 26.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.012 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.31 123.54 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 71' ' ' TYR . 2.7 mt -108.98 158.06 18.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -99.02 31.08 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.25 149.68 26.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.67 86.47 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -156.25 30.31 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.69 -158.54 16.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.545 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -144.9 31.9 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.825 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -164.82 164.99 20.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -98.82 -30.97 12.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.795 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.42 ' HA2' ' CE1' ' A' ' 65' ' ' PHE . . . 162.91 -29.07 0.25 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.596 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.58 155.75 37.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.653 HG21 ' CD1' ' A' ' 74' ' ' LEU . 21.5 t -142.37 100.34 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 -126.69 8.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -110.05 30.09 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.72 0.295 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -146.59 159.31 43.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.47 158.54 17.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -135.97 -58.2 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.42 ' CE1' ' HA2' ' A' ' 57' ' ' GLY . 19.0 p90 -140.83 179.91 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.04 101.99 4.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.9 p -145.33 -177.18 5.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 32.7 mtmt -74.12 167.93 31.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.31 122.77 12.09 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.498 2.132 . . . . 0.0 112.27 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 61.04 63.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.437 ' O ' HD12 ' A' ' 48' ' ' LEU . 4.0 m-85 -129.23 -45.43 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.37 152.78 17.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.9 m -128.96 175.16 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.653 ' CD1' HG21 ' A' ' 59' ' ' VAL . 5.4 mt -125.38 128.22 47.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.634 HG11 HD22 ' A' ' 21' ' ' LEU . 17.0 m -144.84 170.26 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' ARG . 23.2 mtm180 -107.78 154.4 40.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.487 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 80.4 Cg_exo -44.67 -55.52 3.25 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.577 2.185 . . . . 0.0 111.506 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -55.85 -23.44 30.8 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.688 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.698 ' O ' HG22 ' A' ' 22' ' ' THR . 4.8 mmm180 -87.6 -12.31 46.03 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.548 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.638 HG12 HD23 ' A' ' 21' ' ' LEU . 11.4 m -122.65 125.14 72.1 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.04 0 CA-C-O 120.965 0.412 . . . . 0.0 111.291 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 m -88.89 122.85 32.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -132.01 78.05 1.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -100.45 138.88 36.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -114.3 -132.01 5.32 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.432 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.4 mm 68.69 -67.59 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 111.201 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 m 61.93 152.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.95 75.88 0.14 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.46 140.18 39.44 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.657 2.238 . . . . 0.0 112.273 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.3 p -130.07 137.58 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 m 60.42 81.0 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.456 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.48 156.78 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 p -152.77 137.84 17.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.6 -71.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.29 169.71 8.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.302 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -102.67 86.25 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.6 28.76 72.99 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.0 148.93 26.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.68 -43.05 0.59 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.569 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 64.0 132.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.66 -67.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 59.81 175.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.9 mt -65.07 145.44 56.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -105.64 178.72 4.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -81.3 119.82 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.92 28.63 11.71 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -92.15 167.75 11.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -115.48 117.18 29.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.671 HG12 ' HB3' ' A' ' 82' ' ' TYR . 17.2 m -123.06 176.69 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.487 HD12 ' C ' ' A' ' 26' ' ' GLU . 15.0 tp -133.57 143.55 48.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.453 HD23 HG12 ' A' ' 80' ' ' VAL . 20.5 mt -86.61 147.46 25.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.6 p -100.04 31.17 3.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.07 -47.43 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.7 m -95.41 -20.45 19.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.057 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 67.48 38.94 3.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.862 0.363 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.487 ' C ' HD12 ' A' ' 20' ' ' LEU . 5.5 mm-40 -130.71 135.47 47.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.426 ' HG3' HD13 ' A' ' 20' ' ' LEU . 3.3 mtt -81.72 153.86 26.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.29 157.83 43.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.7 m -88.59 143.3 27.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.7 t -85.15 134.49 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.089 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -117.87 -44.45 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -124.29 144.6 49.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.613 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.5 t -145.46 106.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.76 -177.87 33.47 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.555 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.28 158.68 5.07 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.566 2.177 . . . . 0.0 112.384 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 p -107.7 176.79 5.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.82 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -110.82 -31.29 7.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -89.44 -44.03 10.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.77 -34.46 11.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.187 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.8 t 60.79 74.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.87 -115.54 0.38 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.453 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.1 mt -143.89 104.3 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.354 . . . . 0.0 111.201 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -137.67 170.99 15.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.635 HD12 HG21 ' A' ' 80' ' ' VAL . 3.7 mt -137.45 118.8 14.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.66 89.17 0.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.525 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.494 HD11 HG11 ' A' ' 80' ' ' VAL . 95.8 mt -80.56 166.47 21.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.794 0.331 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -143.59 144.83 32.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 71' ' ' TYR . 60.4 mt -113.54 173.47 6.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -94.08 -31.47 14.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.2 m -115.73 -179.62 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.96 103.03 13.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -164.19 30.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.19 -167.76 21.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.536 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -119.43 -42.32 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -89.72 170.19 10.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -96.58 -29.07 14.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 157.11 -25.91 0.49 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.566 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.438 ' HB1' ' O ' ' A' ' 62' ' ' LYS . . . -141.5 173.09 11.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -136.14 100.04 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.995 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.73 -107.01 2.6 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.424 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -110.11 -24.29 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.715 0.293 . . . . 0.0 111.16 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.438 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -81.28 162.23 23.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.902 0.382 . . . . 0.0 111.061 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.6 150.66 48.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.749 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -129.18 -52.75 1.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.417 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 5.7 p90 -141.53 174.38 10.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -129.38 127.37 40.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.4 p -174.61 178.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 166.45 43.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.54 125.03 17.63 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.594 2.196 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 61.45 64.34 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.444 ' O ' HD12 ' A' ' 48' ' ' LEU . 2.9 m-85 -128.59 -48.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.05 174.89 29.28 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.9 m -149.94 147.93 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 111.127 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.7 mt -104.25 117.4 34.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.504 HG21 ' CG1' ' A' ' 80' ' ' VAL . 5.4 m -129.57 179.54 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.468 ' O ' HG22 ' A' ' 80' ' ' VAL . 6.0 mtt180 -107.07 154.12 40.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.481 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 79.9 Cg_exo -44.87 -55.87 3.06 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.554 2.169 . . . . 0.0 111.449 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -55.72 -23.25 27.96 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.847 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 76' ' ' ARG . 2.0 mmp_? -88.84 -11.15 45.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.74 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.635 HG21 HD12 ' A' ' 44' ' ' LEU . 5.6 m -125.02 125.39 69.44 Favored 'Isoleucine or valine' 0 C--O 1.23 0.053 0 CA-C-O 120.929 0.395 . . . . 0.0 111.353 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.1 p -114.64 156.52 24.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.671 ' HB3' HG12 ' A' ' 19' ' ' VAL . 2.2 p90 -160.52 162.29 32.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.65 119.77 36.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.09 42.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.5 mt -120.06 -40.94 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 111.123 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.14 161.08 0.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -101.09 127.47 9.26 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.442 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.8 132.49 18.64 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.398 2.065 . . . . 0.0 112.355 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.7 t -89.89 123.13 33.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.78 98.79 2.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.44 -1.2 . . . . 0.0 112.511 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 60.36 32.17 20.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.864 0.364 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.5 p -98.22 35.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.4 113.38 1.35 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.578 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -154.19 58.78 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.877 0.37 . . . . 0.0 110.778 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -160.09 -45.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.28 59.91 0.55 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.69 137.76 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.99 -119.68 2.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.5 p -121.14 161.09 22.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.978 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -143.15 -46.76 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -99.19 149.45 23.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.09 144.75 54.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.14 48.59 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 60.78 158.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.0 46.92 78.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.86 170.92 14.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -122.95 107.06 11.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.459 HG12 ' HB3' ' A' ' 82' ' ' TYR . 28.9 m -105.31 176.36 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.689 HD13 ' HG2' ' A' ' 27' ' ' MET . 60.8 tp -138.95 148.03 43.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.846 HD23 HG12 ' A' ' 80' ' ' VAL . 36.9 mt -90.96 128.83 36.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.9 p -88.56 56.93 3.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.91 -56.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.1 m -94.04 -22.3 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.78 75.45 0.32 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.853 0.358 . . . . 0.0 110.831 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -150.21 113.4 4.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.689 ' HG2' HD13 ' A' ' 20' ' ' LEU . 9.4 mmm -73.52 142.59 46.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.991 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -146.0 162.15 38.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.5 m -95.57 140.45 30.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.404 ' HA ' HD23 ' A' ' 46' ' ' LEU . 21.6 t -84.4 118.21 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.035 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -110.95 -32.05 6.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.038 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -134.39 145.34 48.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.499 HG13 HD23 ' A' ' 44' ' ' LEU . 22.4 t -148.58 107.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.051 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.54 -170.49 35.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.02 -178.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.589 2.193 . . . . 0.0 112.318 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.681 HG22 ' OH ' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -135.29 -176.39 4.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.794 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -108.47 -36.45 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -89.11 -32.01 17.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.8 -169.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.94 117.04 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.68 -149.59 21.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.523 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.0 mt -107.31 99.96 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.759 0.314 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -111.44 166.12 11.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.757 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.499 HD23 HG13 ' A' ' 33' ' ' VAL . 2.3 mt -134.89 123.21 23.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.95 80.5 1.82 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.991 HD13 ' HB3' ' A' ' 28' ' ' ALA . 46.7 mt -67.89 167.32 13.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -150.36 102.39 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.407 ' CD2' ' HB2' ' A' ' 28' ' ' ALA . 13.0 mt -75.32 170.1 16.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -106.42 31.29 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.403 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 2.8 p -163.16 176.67 9.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.69 81.92 3.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.009 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.41 35.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -132.35 -166.9 11.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -130.77 31.52 4.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -139.96 145.05 37.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -95.53 -31.2 13.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.401 ' HA2' ' CE1' ' A' ' 65' ' ' PHE . . . 152.95 -27.82 0.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.552 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.821 ' HB2' ' HD2' ' A' ' 63' ' ' ARG . . . -129.58 146.11 51.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.09 106.82 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.173 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.03 -130.35 10.19 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.92 30.03 7.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.8 tttt -148.44 161.11 42.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.821 ' HD2' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -118.32 162.29 18.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.681 ' OH ' HG22 ' A' ' 36' ' ' THR . 93.7 m-85 -137.2 -47.06 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CE1' ' HA3' ' A' ' 72' ' ' GLY . 17.1 p90 -146.82 161.3 40.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 t -115.56 102.28 9.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.65 -172.55 3.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mmtm -81.85 170.17 16.04 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -60.65 125.03 16.26 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.631 2.221 . . . . 0.0 112.28 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 61.75 52.14 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.039 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 50' ' ' SER . 4.3 m-85 -120.97 -42.32 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.419 ' HA3' ' CE1' ' A' ' 65' ' ' PHE . . . -92.25 172.5 34.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.518 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.9 m -149.45 143.61 18.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.823 0.344 . . . . 0.0 111.222 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.0 mt -99.98 121.27 41.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.678 HG11 ' CD2' ' A' ' 21' ' ' LEU . 5.5 m -141.91 158.93 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 20.1 mtt180 -98.72 149.59 35.89 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.04 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.506 ' HA ' HG22 ' A' ' 80' ' ' VAL . 89.0 Cg_exo -46.37 -55.87 3.39 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.444 2.096 . . . . 0.0 111.12 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.79 -23.72 45.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.735 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -87.42 -11.54 48.85 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.404 179.005 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.846 HG12 HD23 ' A' ' 21' ' ' LEU . 30.1 m -124.81 -179.98 2.67 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 CA-C-O 120.903 0.382 . . . . 0.0 111.143 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.446 HG21 HD11 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -156.79 177.11 11.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.459 ' HB3' HG12 ' A' ' 19' ' ' VAL . 1.3 p90 -176.88 -36.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -161.51 157.85 25.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.609 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.62 -57.22 0.43 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.48 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.446 HD11 HG21 ' A' ' 81' ' ' THR . 1.4 pt -117.1 113.65 43.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.867 0.365 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 t 61.91 115.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.07 148.85 17.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.555 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.24 162.47 2.97 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.489 2.126 . . . . 0.0 112.376 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.3 p -160.52 99.15 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.4 m -153.1 165.04 36.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.522 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -86.51 -171.47 3.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 m 60.62 80.43 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.75 167.18 4.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.542 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.38 32.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -135.74 -56.33 0.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.57 -120.48 1.01 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -109.86 34.63 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.317 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.47 61.2 1.25 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.482 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.0 t -158.97 162.42 36.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -69.38 134.53 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -62.48 156.73 22.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.1 mt -85.57 167.02 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.408 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 22.2 p-80 -140.95 -172.94 3.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -85.17 131.68 34.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.02 42.63 7.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.408 ' HB3' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -117.82 179.47 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.891 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -124.67 151.64 44.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.4 m -155.92 178.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.6 tp -135.28 132.81 38.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.602 HD23 HG12 ' A' ' 80' ' ' VAL . 75.3 mt -73.67 145.31 45.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -98.88 31.24 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.1 m -147.38 -47.53 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.71 -21.78 23.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.014 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.45 35.47 5.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.935 0.398 . . . . 0.0 110.795 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -128.11 136.54 51.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 59.8 mtp -71.46 157.34 38.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.867 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -151.7 168.99 23.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.7 m -111.65 140.69 46.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.93 123.89 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -116.75 -40.39 3.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -125.69 151.06 47.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.987 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.48 100.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.46 -163.62 37.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.542 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 -169.92 0.36 Allowed 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.624 2.216 . . . . 0.0 112.235 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.644 HG22 ' CE1' ' A' ' 64' ' ' TYR . 6.0 p -141.51 -179.88 6.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -109.55 31.4 5.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.51 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 52.7 p90 -151.5 -46.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.987 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.452 ' N ' ' CD1' ' A' ' 38' ' ' PHE . . . -101.46 174.33 6.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.7 p -118.93 119.81 35.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.5 -149.55 19.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.448 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 43' ' ' TRP . 4.8 mt -103.15 156.83 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.465 ' N ' HG22 ' A' ' 42' ' ' ILE . 90.3 m95 -155.71 167.37 30.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 mt -139.0 107.83 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.97 78.37 0.52 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.548 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.867 HD13 ' HB3' ' A' ' 28' ' ' ALA . 22.5 mt -66.39 165.7 13.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.25 105.8 3.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mt -74.69 167.9 20.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.9 -31.48 20.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.95 -169.15 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.1 93.74 7.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -148.39 37.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -130.43 -165.87 11.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.522 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -138.53 31.3 2.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.866 0.365 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -142.64 157.17 44.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -114.6 33.06 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.7 -28.49 14.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.414 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . . . -136.62 143.21 43.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 111.132 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.536 HG21 HD12 ' A' ' 74' ' ' LEU . 21.5 t -121.04 109.23 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.69 -128.14 8.3 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -104.44 30.03 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.48 155.43 43.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' HG3' ' HB2' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -109.16 172.52 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.644 ' CE1' HG22 ' A' ' 36' ' ' THR . 86.7 m-85 -154.41 -47.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.416 ' CE2' ' HA3' ' A' ' 72' ' ' GLY . 12.3 p90 -149.58 -178.49 6.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.9 m -126.68 126.68 43.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.3 p -164.75 -174.89 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -88.8 172.04 8.18 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -51.76 116.14 2.56 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.619 2.212 . . . . 0.0 112.283 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 60.82 61.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -119.91 -44.1 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.416 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -96.58 169.68 26.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.5 m -140.83 155.55 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.536 HD12 HG21 ' A' ' 59' ' ' VAL . 2.1 mt -106.23 123.06 47.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.435 HG11 HD22 ' A' ' 21' ' ' LEU . 4.2 m -151.3 172.09 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.043 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' ARG . 36.0 mtm105 -109.96 158.17 35.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.996 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.414 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 85.5 Cg_exo -45.72 -52.55 6.7 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.625 2.217 . . . . 0.0 111.352 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -55.56 -22.72 23.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.812 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -93.74 -8.75 39.81 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.903 179.324 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.602 HG12 HD23 ' A' ' 21' ' ' LEU . 28.4 m -132.81 124.46 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 CA-C-O 120.979 0.419 . . . . 0.0 111.46 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.48 151.01 50.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -121.31 -42.47 2.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.28 -173.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -138.47 34.65 2.09 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.567 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.7 pt -97.77 139.5 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 111.108 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.05 88.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.55 86.67 0.68 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.513 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.5 -29.6 40.86 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.565 2.177 . . . . 0.0 112.331 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.44 94.08 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 m -171.04 35.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.492 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.1 -46.38 10.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.08 124.07 38.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.11 147.62 2.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.429 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t 62.57 119.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.353 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.8 37.45 2.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.35 61.4 0.73 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -145.26 162.33 37.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.338 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 129.9 -105.63 0.68 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.581 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.4 p -125.59 148.98 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.43 -47.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.51 36.01 3.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.48 ' O ' HG11 ' A' ' 33' ' ' VAL . 75.4 mt 60.08 103.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -99.74 -176.53 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -75.59 107.75 7.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.99 44.18 0.64 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.557 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.5 m -122.55 172.45 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -121.35 125.75 47.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.78 HG12 ' HB3' ' A' ' 82' ' ' TYR . 21.4 m -138.09 149.95 24.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 27' ' ' MET . 6.6 tp -113.7 146.92 39.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.52 HD23 HG12 ' A' ' 80' ' ' VAL . 7.9 mt -93.21 119.0 31.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.1 p -61.44 -30.54 70.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.52 -65.99 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -28.8 67.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.2 t30 63.49 39.17 9.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -139.23 138.73 37.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.424 ' N ' HD12 ' A' ' 20' ' ' LEU . 34.0 mtp -68.32 157.21 36.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.521 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -156.64 148.92 23.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.056 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -96.33 136.34 36.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.96 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.51 123.31 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.125 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -110.79 -48.29 3.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -120.07 138.36 53.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.48 HG11 ' O ' ' A' ' 13' ' ' LEU . 21.6 t -140.59 113.18 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.12 -179.37 34.79 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.13 157.44 6.31 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.671 2.247 . . . . 0.0 112.288 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.2 p -119.42 -177.67 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -107.72 -50.7 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.1 p90 -70.61 -42.03 71.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.34 -179.15 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.07 113.59 12.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.06 -135.97 8.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.1 mt -120.53 124.57 72.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 111.162 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -127.91 170.12 13.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.472 HD23 HG13 ' A' ' 33' ' ' VAL . 3.3 mt -133.27 122.65 24.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.03 74.87 1.96 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.521 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 90.4 mt -66.82 156.94 34.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.805 0.336 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -138.63 99.92 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.573 HD12 ' O ' ' A' ' 71' ' ' TYR . 6.8 mt -74.37 174.06 9.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -98.37 -27.8 13.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -103.65 174.7 5.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.762 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . . . -93.05 73.92 4.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mmtm -133.87 33.75 3.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.69 -164.32 18.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.401 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.37 31.92 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -147.66 169.43 19.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -119.41 32.24 6.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' A' ' 65' ' ' PHE . . . 100.61 -33.18 6.58 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.537 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.08 158.69 43.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 0.0 111.177 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.26 117.01 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.12 -132.43 11.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.492 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.22 30.08 6.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 110.994 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -139.41 154.91 47.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.41 139.01 49.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -120.34 -42.66 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.411 ' CD1' ' HA2' ' A' ' 57' ' ' GLY . 18.2 p90 -155.4 176.48 12.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.96 111.99 13.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.1 p -148.75 -176.41 5.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -76.37 164.34 60.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.82 122.74 11.54 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.572 2.181 . . . . 0.0 112.301 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 59.38 65.09 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.762 ' CE1' ' HB2' ' A' ' 51' ' ' ALA . 3.5 m-85 -127.73 -53.7 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.36 164.9 36.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.0 m -146.73 123.09 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.86 114.87 22.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.5 m -131.28 168.58 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -98.78 154.18 37.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.618 ' HA ' HG22 ' A' ' 80' ' ' VAL . 82.3 Cg_exo -45.59 -53.44 5.56 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.456 2.104 . . . . 0.0 111.352 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -56.19 -23.58 36.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.815 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' ARG . 1.2 mmp_? -89.11 -9.63 50.34 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.63 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.618 HG22 ' HA ' ' A' ' 77' ' ' PRO . 34.8 m -125.09 174.11 9.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.092 0 CA-C-O 120.86 0.362 . . . . 0.0 111.271 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.2 165.05 36.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.78 ' HB3' HG12 ' A' ' 19' ' ' VAL . 3.2 p90 -172.45 162.24 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.13 151.13 46.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -162.11 -139.68 2.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 85' ' ' ILE . 7.3 tp -68.14 109.9 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 0.0 111.046 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 p -153.28 105.47 2.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.56 160.34 32.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.517 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -69.51 154.42 68.74 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.527 2.151 . . . . 0.0 112.262 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.6 p -60.03 87.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.5 m -110.72 169.92 8.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.421 -1.211 . . . . 0.0 112.488 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -80.85 140.48 35.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 p -110.09 -34.06 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.784 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.2 -94.61 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 p -67.11 133.4 49.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -148.15 138.22 22.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.45 133.97 10.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.563 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.44 125.54 16.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.33 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.51 72.73 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.452 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m -125.23 97.61 5.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.428 HG22 ' N ' ' A' ' 12' ' ' LYS . 10.7 p -140.14 155.04 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.053 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' N ' HG22 ' A' ' 11' ' ' VAL . 4.7 mmtp -68.36 162.62 24.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 mt -91.34 147.58 22.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.8 160.79 37.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -59.96 137.3 58.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.99 -28.13 17.3 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.56 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 m -65.72 173.01 3.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.517 ' NE2' HG23 ' A' ' 29' ' ' THR . 5.8 mm-40 -116.69 165.04 13.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.474 HG13 ' O ' ' A' ' 18' ' ' GLN . 15.2 m -157.63 176.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.239 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.8 tp -143.33 135.26 26.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.49 145.6 30.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.62 30.64 3.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -134.45 -47.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m -99.0 -19.44 17.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t30 67.3 38.93 3.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -124.74 133.94 52.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.4 mmm -65.9 152.87 43.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.522 ' CB ' HD13 ' A' ' 46' ' ' LEU . . . -149.74 146.15 27.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.517 HG23 ' NE2' ' A' ' 18' ' ' GLN . 24.3 m -95.93 140.93 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.045 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -87.47 117.47 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.152 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -104.91 -31.06 9.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -139.93 154.21 47.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.726 HG13 HD23 ' A' ' 44' ' ' LEU . 22.0 t -148.55 100.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.09 174.15 46.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.11 142.75 47.17 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.532 2.154 . . . . 0.0 112.259 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.5 p -93.95 -178.63 4.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -108.03 -33.07 7.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 39' ' ' ALA . 53.4 p90 -79.22 -41.52 28.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' N ' ' CD1' ' A' ' 38' ' ' PHE . . . -95.04 -175.26 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.7 m -131.91 104.73 7.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.31 -137.17 7.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.512 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.3 mt -127.02 133.83 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.9 m95 -134.16 159.34 41.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.726 HD23 HG13 ' A' ' 33' ' ' VAL . 1.8 mt -116.65 109.11 16.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.59 85.85 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.516 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.522 HD13 ' CB ' ' A' ' 28' ' ' ALA . 93.3 mt -72.52 166.64 22.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -148.03 111.88 5.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 71' ' ' TYR . 3.1 mt -93.98 156.1 16.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.55 32.53 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.4 t -160.84 151.14 17.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.15 75.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -136.26 34.35 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.42 -148.64 5.55 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.53 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -145.83 -47.39 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -60.22 152.57 24.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -111.3 33.1 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.419 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 99.65 -38.29 3.17 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -130.29 146.05 51.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 111.047 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.0 t -127.85 139.92 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 59.7 -129.46 48.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -110.02 30.07 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -137.93 176.32 8.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.4 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -130.14 161.53 30.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 63' ' ' ARG . 42.7 m-85 -145.99 -49.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 13.7 p90 -145.93 -178.08 5.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.31 116.89 11.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 8.9 p -156.74 175.69 13.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -60.93 161.43 15.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -56.77 123.27 13.46 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.624 2.216 . . . . 0.0 112.276 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 61.7 61.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.605 ' O ' HD12 ' A' ' 48' ' ' LEU . 4.0 m-85 -133.65 -46.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.417 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -90.84 159.76 26.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 46' ' ' LEU . 21.9 m -139.2 176.37 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 111.174 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mp -144.21 129.24 18.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.5 m -141.69 179.63 2.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.087 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' ARG . 73.0 mtp85 -98.84 153.27 37.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.072 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.504 ' HA ' HG22 ' A' ' 80' ' ' VAL . 82.6 Cg_exo -45.79 -56.26 2.97 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.489 2.126 . . . . 0.0 111.35 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 p -55.87 -23.8 33.23 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.612 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -85.07 -13.26 50.93 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.566 179.043 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.628 HG21 ' CD1' ' A' ' 44' ' ' LEU . 16.6 m -119.24 134.47 62.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 CA-C-O 120.875 0.369 . . . . 0.0 111.368 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 69.9 p -120.25 134.55 55.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -143.92 -46.9 0.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -129.29 -42.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -51.98 159.58 2.62 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.709 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.1 mm -93.06 143.82 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.01 74.71 0.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.76 103.55 1.7 Allowed Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.429 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.19 -27.12 49.04 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.458 2.106 . . . . 0.0 112.32 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.0 p -90.12 -179.74 5.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 m -97.65 117.69 32.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.509 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -155.1 128.86 8.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -102.48 123.41 46.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.999 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.7 -46.57 2.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.412 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.99 111.91 23.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.0 104.62 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.23 -56.74 0.54 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.507 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 60.67 100.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.58 -125.62 1.0 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.01 168.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.698 HG11 HG11 ' A' ' 33' ' ' VAL . 16.2 t -150.12 148.61 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -104.9 31.76 4.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.619 HD23 ' CD2' ' A' ' 82' ' ' TYR . 6.0 mt -136.04 179.52 6.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.08 170.82 20.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -75.86 126.24 30.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.987 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.49 34.08 6.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.4 m -104.6 177.82 4.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -127.66 118.04 23.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.619 HG12 ' HB2' ' A' ' 82' ' ' TYR . 26.9 m -125.31 156.23 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.559 HD12 ' C ' ' A' ' 26' ' ' GLU . 21.3 tp -116.99 150.43 38.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.7 mt -92.94 128.48 38.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.9 p -88.28 58.1 4.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -164.51 -57.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.827 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 m -97.71 -14.6 20.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.245 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m120 65.17 77.18 0.31 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.559 ' C ' HD12 ' A' ' 20' ' ' LEU . 4.1 mm-40 -155.03 133.74 12.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.801 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.1 mtt -80.44 150.46 29.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.97 148.01 27.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.2 m -92.16 139.08 30.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.032 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.0 128.18 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.146 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -107.29 -39.17 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.972 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -133.0 150.37 52.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.698 HG11 HG11 ' A' ' 11' ' ' VAL . 21.6 t -144.52 116.13 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.067 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.97 171.84 26.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.17 166.46 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.582 2.188 . . . . 0.0 112.307 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.484 HG22 ' CE1' ' A' ' 64' ' ' TYR . 48.4 p -123.66 175.96 6.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -103.43 -40.73 6.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -69.46 -44.19 71.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -119.83 174.12 6.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.084 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.13 174.69 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.03 -139.52 15.78 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.6 mp -135.6 126.57 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.06 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -122.08 172.5 8.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.459 ' CD2' HG13 ' A' ' 33' ' ' VAL . 8.3 mt -133.63 129.81 37.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.73 77.26 2.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.619 HD11 ' CG2' ' A' ' 75' ' ' VAL . 29.2 mt -66.52 159.9 26.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.333 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -142.88 120.21 11.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.563 HD12 ' O ' ' A' ' 71' ' ' TYR . 16.3 mt -100.46 169.08 9.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -107.92 31.58 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.444 ' CA ' ' CE2' ' A' ' 71' ' ' TYR . 73.3 p -162.23 158.06 23.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.765 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . . . -82.77 74.46 9.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -142.03 31.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.76 -135.22 6.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.555 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.0 -50.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.464 ' ND2' HD12 ' A' ' 74' ' ' LEU . 6.7 m-20 -80.95 171.05 15.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -107.71 -32.1 7.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.422 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 164.83 -29.94 0.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.504 ' HB2' ' CB ' ' A' ' 63' ' ' ARG . . . -139.9 160.4 39.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.807 0.337 . . . . 0.0 111.125 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.63 117.63 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.21 -126.67 8.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.436 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.74 29.99 5.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.24 148.38 18.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.504 ' CB ' ' HB2' ' A' ' 58' ' ' ALA . 0.6 OUTLIER -118.09 150.9 38.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.962 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.484 ' CE1' HG22 ' A' ' 36' ' ' THR . 66.1 m-85 -114.11 -19.71 11.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.229 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.422 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 8.8 p90 -160.39 174.38 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.946 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.33 112.35 12.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.12 -174.8 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' CB ' ' HD2' ' A' ' 69' ' ' PRO . 10.4 mttt -70.55 167.32 27.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.401 ' HD2' ' CB ' ' A' ' 68' ' ' LYS . 37.9 Cg_endo -66.47 127.45 17.33 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.448 2.099 . . . . 0.0 112.23 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 64.22 45.23 4.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.765 ' CE1' ' HB2' ' A' ' 51' ' ' ALA . 4.0 m-85 -116.5 -45.23 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.68 176.8 30.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.6 m -150.75 169.72 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.778 0.323 . . . . 0.0 111.184 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.464 HD12 ' ND2' ' A' ' 55' ' ' ASN . 8.1 mt -122.9 113.75 19.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.619 ' CG2' HD11 ' A' ' 46' ' ' LEU . 5.7 m -136.01 162.46 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -99.55 152.54 37.84 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.502 ' HA ' HG22 ' A' ' 80' ' ' VAL . 80.9 Cg_exo -45.19 -58.1 1.77 Allowed 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.436 2.091 . . . . 0.0 111.355 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.27 -23.52 36.92 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.689 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.4 OUTLIER -85.26 -13.78 48.73 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.414 178.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 77' ' ' PRO . 21.8 m -120.26 169.36 11.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.065 0 CA-C-O 120.814 0.34 . . . . 0.0 111.176 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.15 123.58 46.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.619 ' CD2' HD23 ' A' ' 13' ' ' LEU . 57.7 t80 -167.98 162.92 13.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -79.83 -169.3 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.52 -61.93 0.38 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.3 pt -103.5 77.82 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.7 m -123.54 108.42 12.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.31 -129.1 0.18 Allowed Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.406 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.72 167.6 20.73 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.491 2.128 . . . . 0.0 112.261 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.5 t -98.59 33.33 2.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 m -108.95 125.52 52.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.465 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -162.55 120.39 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.58 125.99 35.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.22 -63.25 0.48 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.68 139.99 52.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.781 0.325 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -121.06 31.39 6.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.28 -145.35 16.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.449 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -161.13 98.53 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.92 49.05 1.82 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.65 158.25 34.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.83 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.95 83.6 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -134.36 167.34 20.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.502 HD22 HG21 ' A' ' 30' ' ' VAL . 1.7 mt -78.19 172.67 13.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -165.56 36.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.597 ' HG2' HG23 ' A' ' 33' ' ' VAL . 26.4 mt-10 61.29 113.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.75 52.4 0.54 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -153.96 162.84 40.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -95.89 135.7 37.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 82' ' ' TYR . 27.3 m -142.24 137.15 29.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.2 tp -96.87 156.45 16.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.511 HD23 HG12 ' A' ' 80' ' ' VAL . 41.2 mt -100.32 144.55 29.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.3 p -99.27 31.25 3.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.3 m -143.47 -47.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.42 -22.54 17.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.057 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.45 44.99 2.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.816 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -136.21 122.24 20.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.57 155.05 36.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.562 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -154.39 157.87 39.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.099 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.1 m -97.64 137.29 36.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.502 HG21 HD22 ' A' ' 13' ' ' LEU . 21.8 t -79.14 122.63 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.07 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -110.73 -31.31 7.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.984 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -141.03 136.09 31.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.976 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.597 HG23 ' HG2' ' A' ' 15' ' ' GLU . 25.6 t -132.51 128.16 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.23 -167.18 29.01 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.495 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.4 167.64 24.68 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.565 2.177 . . . . 0.0 112.273 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.0 p -130.17 155.22 46.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -80.14 -41.72 24.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.0 p90 -70.17 -40.43 74.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -111.9 -175.86 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.143 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.3 p -128.22 146.82 50.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.01 -129.67 9.92 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mt -126.83 143.35 40.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.848 0.356 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.401 ' CZ2' ' HB1' ' A' ' 39' ' ' ALA . 67.3 m95 -144.14 170.84 15.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.488 HD23 HG13 ' A' ' 33' ' ' VAL . 5.5 mt -135.03 116.82 15.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.021 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.43 75.56 1.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.61 156.37 36.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -138.86 107.11 5.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.562 HD23 ' HB2' ' A' ' 28' ' ' ALA . 6.0 mt -78.3 179.72 6.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.51 -31.57 11.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.4 m -111.11 -179.44 3.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.721 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . . . -96.15 103.47 15.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.56 30.34 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -118.88 -132.01 4.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -154.28 -46.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.629 ' OD1' HG22 ' A' ' 59' ' ' VAL . 25.0 m-80 -68.58 175.8 3.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -134.38 30.8 3.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.433 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 101.23 -54.7 0.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.489 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.61 149.17 28.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.754 0.312 . . . . 0.0 111.103 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.629 HG22 ' OD1' ' A' ' 55' ' ' ASN . 21.5 t -135.92 99.96 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.17 -121.19 5.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -109.26 30.05 6.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -140.94 175.65 9.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -135.02 166.09 23.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -150.95 -46.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.706 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.433 ' CD2' ' HA2' ' A' ' 57' ' ' GLY . 43.8 p90 -153.48 171.06 19.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 47.0 m -144.91 118.77 9.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 50.0 t -146.61 -70.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HB3' ' CD1' ' A' ' 71' ' ' TYR . 1.2 mtmm -174.26 169.76 1.8 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.13 119.82 7.3 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.65 2.233 . . . . 0.0 112.315 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 59.53 49.28 8.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.105 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.721 ' CE1' ' HB2' ' A' ' 51' ' ' ALA . 2.6 m-85 -114.1 -32.36 6.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.43 ' O ' HG13 ' A' ' 73' ' ' VAL . . . -111.18 -173.78 19.86 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.416 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 72' ' ' GLY . 15.4 m -156.65 162.65 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.835 0.35 . . . . 0.0 111.123 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.73 107.08 12.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 m -129.01 162.71 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 14.1 mtt-85 -93.83 154.67 40.86 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.181 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.493 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 83.2 Cg_exo -46.13 -57.72 2.06 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.485 2.123 . . . . 0.0 111.266 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 p -56.34 -23.24 36.09 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.688 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 76' ' ' ARG . 11.9 mmt-85 -85.84 -12.55 50.51 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.454 178.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.511 HG12 HD23 ' A' ' 21' ' ' LEU . 15.6 m -119.95 130.91 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.064 0 CA-C-O 120.959 0.409 . . . . 0.0 111.268 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.3 p -80.98 133.53 35.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.536 ' HB2' HG12 ' A' ' 19' ' ' VAL . 14.0 t80 -168.56 130.28 1.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.1 150.22 26.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -140.04 141.44 11.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.6 mm -99.74 95.76 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 111.075 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.19 139.98 48.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.16 167.62 13.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.458 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.97 -45.63 1.41 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.558 2.172 . . . . 0.0 112.306 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.4 t -100.72 118.95 37.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -122.17 101.55 7.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.458 -1.19 . . . . 0.0 112.473 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 p -165.01 131.33 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -37.68 16.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.62 -127.53 1.01 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.542 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -106.27 -26.74 11.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.76 83.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.28 178.9 46.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -109.78 124.78 51.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.402 ' O ' HD11 ' A' ' 85' ' ' ILE . . . -96.15 36.56 3.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.448 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.2 t -130.73 35.14 4.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.887 0.375 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.449 HG13 ' N ' ' A' ' 12' ' ' LYS . 8.5 p -158.05 -43.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.449 ' N ' HG13 ' A' ' 11' ' ' VAL . 2.7 ttpm? -82.1 140.34 33.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.515 HD21 ' CG ' ' A' ' 82' ' ' TYR . 9.9 mt -91.56 172.38 8.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.754 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -145.37 -178.16 5.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -77.46 145.73 36.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.24 37.45 59.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.3 m -111.64 167.52 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -113.22 129.55 56.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.553 HG12 ' HB2' ' A' ' 82' ' ' TYR . 6.3 m -141.21 171.17 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.9 tp -134.93 145.61 48.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.473 HD13 ' HB2' ' A' ' 24' ' ' SER . 6.1 mt -90.66 122.34 33.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.7 p -66.03 -29.81 70.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.4 t -88.56 -65.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.473 ' HB2' HD13 ' A' ' 21' ' ' LEU . 1.3 m -59.35 -28.39 66.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.027 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t30 63.35 35.12 12.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -131.13 141.21 50.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.8 mmm -68.01 138.78 56.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.517 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -137.62 144.26 41.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.081 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.7 m -95.83 141.11 29.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -84.45 123.24 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.085 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -110.66 -31.01 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -147.08 153.03 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.601 HG13 ' CD2' ' A' ' 44' ' ' LEU . 22.0 t -147.67 109.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 175.04 -157.3 24.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.16 -170.69 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.567 2.178 . . . . 0.0 112.304 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.424 HG22 ' CZ ' ' A' ' 64' ' ' TYR . 1.1 p -146.49 152.67 39.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.96 40.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -159.27 -45.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.48 -25.74 14.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.235 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.4 m 61.85 89.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 167.54 -171.25 42.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.424 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.411 ' H ' HD12 ' A' ' 42' ' ' ILE . 3.7 mp -88.76 100.3 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 0.0 111.124 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.785 ' O ' HD23 ' A' ' 44' ' ' LEU . 78.3 m95 -113.96 175.64 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.785 HD23 ' O ' ' A' ' 43' ' ' TRP . 8.5 mt -142.05 103.94 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.78 89.17 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.551 HD12 HG23 ' A' ' 73' ' ' VAL . 74.6 mt -76.62 172.6 12.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.363 . . . . 0.0 111.02 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.66 113.87 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.3 mt -87.06 178.95 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.84 30.07 6.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.41 -173.58 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.36 74.82 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -136.93 31.27 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.23 -134.39 4.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.541 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.62 -46.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.585 ' OD1' HD12 ' A' ' 74' ' ' LEU . 2.4 m-80 -73.64 163.51 27.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -103.24 -30.23 10.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.87 -28.66 0.92 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.92 138.91 32.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.4 126.92 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.38 -126.97 8.09 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -109.37 30.12 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.734 0.302 . . . . 0.0 110.951 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -153.27 158.55 41.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -123.79 146.92 47.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.424 ' CZ ' HG22 ' A' ' 36' ' ' THR . 65.2 m-85 -112.14 -22.31 11.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.17 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -167.29 174.07 8.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.823 0.344 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -117.96 133.91 55.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.1 p -176.82 -176.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -86.93 171.06 10.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.03 124.19 15.66 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.512 2.142 . . . . 0.0 112.321 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 60.73 55.6 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.015 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' A' ' 68' ' ' LYS . 3.0 m-85 -116.16 -48.05 2.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.797 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.44 170.37 28.37 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.551 HG23 HD12 ' A' ' 46' ' ' LEU . 5.4 m -141.84 117.13 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.358 . . . . 0.0 111.174 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.585 HD12 ' OD1' ' A' ' 55' ' ' ASN . 2.9 mt -76.89 114.79 16.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.787 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.471 ' CG2' HD11 ' A' ' 46' ' ' LEU . 29.9 m -141.35 171.47 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.235 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 79' ' ' ARG . 39.8 mtp180 -106.6 159.09 31.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.488 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 79.6 Cg_exo -44.81 -54.4 4.21 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.537 2.158 . . . . 0.0 111.382 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.66 -23.27 27.21 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.822 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 76' ' ' ARG . 2.5 mmm180 -89.28 -11.53 43.24 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.684 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 6.3 m -123.92 125.24 70.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 CA-C-O 120.989 0.423 . . . . 0.0 111.283 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.95 129.08 38.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.997 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.553 ' HB2' HG12 ' A' ' 19' ' ' VAL . 58.3 t80 -177.95 -62.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 67.8 -69.28 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.99 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -162.97 -141.99 3.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.402 HD11 ' O ' ' A' ' 9' ' ' GLY . 3.8 mp -101.69 92.8 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 111.045 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.2 t -74.97 -52.13 11.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -169.49 116.89 0.68 Allowed Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.76 163.93 35.32 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.421 2.081 . . . . 0.0 112.27 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.87 123.11 25.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.8 m -158.48 157.97 33.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.328 -1.262 . . . . 0.0 112.476 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 p 58.61 -172.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.81 127.76 44.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.96 70.98 3.03 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.451 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.61 136.95 43.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.78 0.324 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.94 159.41 4.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.79 -44.55 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -79.98 105.48 11.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.369 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.0 -127.64 4.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.54 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -134.92 105.9 6.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.765 0.317 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.77 -53.51 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.58 161.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.833 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mp -85.26 -177.38 6.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.29 -175.09 3.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.803 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -91.89 140.68 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.6 32.15 62.09 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -108.4 176.03 5.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.352 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -117.95 149.38 41.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.7 m -145.86 178.46 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.1 tp -143.43 131.41 21.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.4 HD23 HG12 ' A' ' 80' ' ' VAL . 55.8 mt -76.61 138.75 40.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 t -101.81 30.88 4.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.3 p -119.48 -54.45 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -124.67 15.63 8.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.286 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 53.38 87.24 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.87 0.367 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -154.37 121.23 5.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 93.3 mtp -77.3 156.27 31.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.835 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -159.95 155.56 25.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.1 m -97.76 132.34 43.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -79.13 127.91 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.155 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -116.06 -39.96 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -127.87 147.49 50.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.989 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.585 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.6 t -144.1 105.45 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.216 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 160.54 170.06 24.63 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.482 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.28 145.17 36.47 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.605 2.204 . . . . 0.0 112.289 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.635 HG22 ' CE1' ' A' ' 64' ' ' TYR . 11.2 p -102.23 -179.41 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -98.23 -39.51 8.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -66.76 -36.26 82.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -131.14 169.95 15.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.56 161.82 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 102.85 -135.18 12.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.08 146.51 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 111.089 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.516 ' O ' HD23 ' A' ' 44' ' ' LEU . 85.0 m95 -145.42 175.76 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.774 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.585 ' CD2' HG13 ' A' ' 33' ' ' VAL . 17.0 mt -145.53 110.07 5.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.91 85.67 0.67 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.388 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.835 HD13 ' HB3' ' A' ' 28' ' ' ALA . 74.1 mt -74.22 168.53 19.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -149.5 128.19 12.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 71' ' ' TYR . 13.1 mt -100.33 178.51 4.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.73 30.51 7.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.412 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -173.61 -175.49 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.42 81.33 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -141.09 33.96 1.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.37 -170.38 12.11 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.458 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -41.61 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.752 0.31 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -87.95 150.3 23.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -80.05 -24.09 40.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.068 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.41 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 165.39 -29.81 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' A' ' 62' ' ' LYS . . . -134.67 165.81 24.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.86 0.362 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.79 109.15 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.05 -130.67 10.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.504 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -110.03 30.05 7.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.748 0.309 . . . . 0.0 110.998 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.503 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 4.6 tttt -128.74 178.44 6.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.08 143.73 50.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.635 ' CE1' HG22 ' A' ' 36' ' ' THR . 94.9 m-85 -135.39 -56.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.971 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.41 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 5.1 p90 -138.47 162.33 34.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.6 m -120.69 119.11 31.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.3 p -162.39 176.09 10.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.19 169.46 11.68 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.7 124.82 16.62 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.57 2.18 . . . . 0.0 112.281 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 61.36 54.71 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.52 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.4 m-85 -122.85 -44.24 2.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.408 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -97.17 164.99 22.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.8 m -147.82 148.34 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -107.1 128.76 54.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.457 HG21 ' CG1' ' A' ' 80' ' ' VAL . 17.7 m -143.9 179.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 79' ' ' ARG . 12.5 mtm180 -109.9 152.54 43.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.632 ' HA ' HG22 ' A' ' 80' ' ' VAL . 83.6 Cg_exo -45.4 -53.69 5.2 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.485 2.124 . . . . 0.0 111.339 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.83 -23.55 31.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.783 178.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 76' ' ' ARG . 16.0 mmm-85 -89.3 -10.29 47.36 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.631 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.632 HG22 ' HA ' ' A' ' 77' ' ' PRO . 34.7 m -122.77 167.11 16.73 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 CA-C-O 120.904 0.383 . . . . 0.0 111.344 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 p -149.85 149.19 30.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -160.07 29.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.003 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 57.2 91.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -76.4 -53.87 5.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.528 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.8 tt -174.85 133.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.339 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.0 m -155.89 -48.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 144.47 100.36 0.31 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.27 66.66 1.05 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.493 2.129 . . . . 0.0 112.245 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.5 m -127.28 -176.49 3.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -176.63 -50.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.416 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.143 0 N-CA-C 112.584 -0.206 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.87 161.45 13.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.12 156.74 16.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.38 73.36 0.65 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.452 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 t -76.42 -29.29 56.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.752 0.31 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 62.83 104.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.78 -172.09 28.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.41 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 61.76 115.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.93 87.02 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 p -154.0 139.46 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 12' ' ' LYS . 11.2 p -128.7 -44.84 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.072 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.489 ' N ' HG13 ' A' ' 11' ' ' VAL . 1.2 tttt -77.44 176.53 8.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.04 170.41 16.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -106.49 159.77 15.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -71.06 134.96 47.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.31 37.2 70.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.538 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -103.04 168.78 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -106.52 125.91 51.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.498 HG21 HD21 ' A' ' 46' ' ' LEU . 22.2 m -128.98 142.24 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.186 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.8 tp -104.08 145.24 30.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.08 139.1 31.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 t -98.73 31.47 2.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.26 -47.91 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.5 m -131.75 10.68 4.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.313 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 m120 54.7 83.99 0.07 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.81 0.338 . . . . 0.0 110.995 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -146.62 120.86 9.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 60.8 mmm -70.62 150.72 45.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.39 -179.94 7.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 38.3 m -126.98 125.85 42.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.431 ' HA ' HD23 ' A' ' 46' ' ' LEU . 21.6 t -77.11 124.51 35.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.182 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -111.54 -33.85 6.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -143.65 141.18 30.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.678 HG13 ' CD2' ' A' ' 44' ' ' LEU . 27.8 t -133.21 112.93 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.65 -172.59 40.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.43 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.06 175.85 7.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.626 2.217 . . . . 0.0 112.286 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.511 HG23 ' CD1' ' A' ' 43' ' ' TRP . 69.3 p -127.83 176.46 7.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -102.97 -31.26 10.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.571 ' CE2' HG11 ' A' ' 59' ' ' VAL . 52.9 p90 -78.28 -31.22 48.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -125.55 179.3 5.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.1 m -125.69 88.46 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.83 176.53 43.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mp -83.35 111.97 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 111.153 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.744 ' O ' HD23 ' A' ' 44' ' ' LEU . 85.0 m95 -115.17 179.64 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.744 HD23 ' O ' ' A' ' 43' ' ' TRP . 19.1 mt -145.27 125.28 13.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.7 80.2 1.59 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.527 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.498 HD21 HG21 ' A' ' 19' ' ' VAL . 85.1 mt -79.75 167.65 20.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.995 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -151.48 107.67 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.3 mt -73.31 165.7 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -100.67 32.23 3.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.06 173.54 1.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.8 97.0 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.04 30.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.38 179.81 16.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -110.6 -36.07 5.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -79.09 -179.38 6.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -133.2 29.97 3.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.427 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 95.41 -37.05 3.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.578 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -111.91 130.58 55.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.571 HG11 ' CE2' ' A' ' 38' ' ' PHE . 20.7 t -112.03 105.43 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.95 -113.08 4.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.0 24.34 13.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.754 0.312 . . . . 0.0 111.003 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -160.03 137.91 9.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.91 148.68 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -115.21 -10.72 12.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.337 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.427 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 21.2 p90 -162.94 158.82 22.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.0 m -110.05 137.45 47.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.831 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.2 p -176.7 178.54 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.95 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -80.47 169.22 20.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.4 122.98 12.19 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.612 2.208 . . . . 0.0 112.258 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 61.08 64.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -125.15 -61.04 1.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -93.37 161.3 25.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.444 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.5 m -134.04 179.54 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.353 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mp -130.89 120.49 23.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.469 HG22 HD12 ' A' ' 46' ' ' LEU . 4.6 m -139.46 171.05 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.052 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 79' ' ' ARG . 1.3 mtt180 -99.81 151.06 37.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.412 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 88.4 Cg_exo -45.93 -50.66 9.44 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.441 2.094 . . . . 0.0 111.346 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.46 -23.12 23.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.708 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.9 OUTLIER -91.33 -10.41 41.39 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.863 179.262 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' A' ' 77' ' ' PRO . 11.9 m -131.21 125.08 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 121.061 0.457 . . . . 0.0 111.594 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.1 m -113.11 141.85 46.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.845 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -139.98 -46.82 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 63.8 137.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.6 -104.4 1.4 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 pt -59.34 166.07 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 111.215 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t 63.58 135.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 140.31 -168.82 25.01 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.536 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.97 107.7 1.96 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.554 2.169 . . . . 0.0 112.312 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.91 -53.03 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 83.9 p -87.66 -31.31 19.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.45 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -107.42 138.66 43.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.772 0.32 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.1 p -162.72 -175.06 4.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.72 45.93 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.459 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.64 143.96 28.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -117.42 85.55 2.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.54 -160.63 30.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -72.78 -176.79 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.06 92.38 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.432 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -167.05 35.35 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.788 0.328 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p -64.92 133.31 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -101.25 166.48 10.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.532 ' CD1' HG11 ' A' ' 19' ' ' VAL . 46.7 mt -90.43 145.97 24.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -101.99 175.42 5.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -77.6 114.14 16.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.12 36.03 1.55 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.406 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -122.54 173.62 7.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -122.66 135.78 54.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.577 HG12 ' HB3' ' A' ' 82' ' ' TYR . 28.4 m -137.83 143.2 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.5 tp -112.87 127.65 56.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.4 mt -67.68 145.01 55.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.966 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 t -99.0 31.08 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.3 m -141.66 -47.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.66 -21.81 17.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.054 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 67.37 42.62 2.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.876 0.369 . . . . 0.0 110.806 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -128.77 121.99 29.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 30.6 mtp -68.03 144.73 55.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.24 146.09 38.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.6 m -89.66 139.67 30.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.23 134.04 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.106 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -120.01 -45.89 2.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -131.54 145.62 51.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.638 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.4 t -145.52 100.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 177.6 -163.13 31.39 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.03 -174.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.602 2.201 . . . . 0.0 112.322 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.558 HG21 ' CD1' ' A' ' 43' ' ' TRP . 0.8 OUTLIER -147.73 171.83 15.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.46 -56.67 2.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.698 ' CD1' HG11 ' A' ' 59' ' ' VAL . 49.1 p90 -61.14 -35.75 77.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.09 -170.57 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.91 -177.34 3.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.7 -139.36 20.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.7 mt -131.26 134.54 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.897 0.38 . . . . 0.0 111.086 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.558 ' CD1' HG21 ' A' ' 36' ' ' THR . 84.1 m95 -131.49 166.84 20.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.638 ' CD2' HG13 ' A' ' 33' ' ' VAL . 25.2 mt -123.9 117.42 24.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.35 78.0 0.58 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.59 160.29 31.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.329 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -145.69 103.54 3.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.8 mt -80.62 163.97 23.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.24 30.95 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 p -170.63 154.37 4.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.79 86.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.066 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.03 31.91 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -122.89 -141.69 5.98 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -152.3 -47.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.547 ' OD1' HG22 ' A' ' 59' ' ' VAL . 58.7 m-80 -70.25 148.24 48.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -99.04 26.95 5.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.019 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.32 -42.19 2.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.23 112.27 22.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 0.0 111.196 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.698 HG11 ' CD1' ' A' ' 38' ' ' PHE . 21.5 t -98.07 106.58 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.5 -118.77 4.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.41 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -107.37 29.39 7.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.06 180.0 8.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.71 154.9 42.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -125.21 1.82 7.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.453 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -176.78 160.91 1.97 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 m -115.56 123.19 47.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 23.6 p -168.41 -177.28 3.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -80.88 168.77 22.73 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.34 120.98 8.17 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.468 2.112 . . . . 0.0 112.331 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 61.71 57.77 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 68' ' ' LYS . 4.0 m-85 -119.31 -48.18 2.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.799 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.09 173.04 32.74 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.497 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 m -152.56 158.91 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.45 124.75 51.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.821 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.426 HG21 ' CG1' ' A' ' 80' ' ' VAL . 3.8 m -135.31 179.48 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' ARG . 27.5 mtp85 -111.48 145.74 33.21 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.982 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.632 ' HA ' HG22 ' A' ' 80' ' ' VAL . 83.8 Cg_exo -45.6 -56.35 2.87 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.375 2.05 . . . . 0.0 111.315 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.5 t -56.15 -22.97 31.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.842 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 76' ' ' ARG . 52.7 mmm-85 -91.01 -8.84 47.98 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.666 179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.632 HG22 ' HA ' ' A' ' 77' ' ' PRO . 35.0 m -123.01 167.0 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.075 0 CA-C-O 120.886 0.374 . . . . 0.0 111.131 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.18 156.29 40.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.003 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.577 ' HB3' HG12 ' A' ' 19' ' ' VAL . 2.3 p90 -152.68 149.16 28.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -104.07 -65.79 1.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.07 -86.56 0.46 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 85' ' ' ILE . 15.6 tt -73.56 121.89 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 111.039 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 m 60.77 166.43 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 124.9 -52.03 0.81 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.435 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -51.76 127.85 24.36 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.614 2.21 . . . . 0.0 112.352 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -148.28 129.59 14.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.6 89.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.499 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -145.45 142.53 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.11 -60.42 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.23 89.97 0.13 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m 60.32 163.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.349 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 60.17 179.97 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.05 161.46 11.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -85.52 175.94 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.36 47.67 1.04 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.8 m -111.61 129.46 56.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.9 p -109.84 -31.77 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.02 -169.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 mp -75.59 143.71 42.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -110.31 146.64 35.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.03 139.33 58.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.86 28.81 22.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.525 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.99 179.15 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.348 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -119.29 121.98 40.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.7 m -119.23 154.4 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.08 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.2 tp -117.62 130.29 56.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.5 mt -72.81 144.64 47.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.48 31.67 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.0 m -151.13 -47.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -87.4 -20.43 26.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 62.96 45.34 5.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 110.826 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.93 137.83 38.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.806 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.6 mtp -76.93 136.8 38.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.461 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -129.52 145.4 51.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.056 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.6 m -88.85 132.06 34.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.96 129.21 37.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.095 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -116.55 -39.1 3.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -130.55 150.13 51.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.721 HG13 ' CD2' ' A' ' 44' ' ' LEU . 22.1 t -150.12 104.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.052 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 164.19 -179.16 39.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.582 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.12 155.92 8.29 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.631 2.221 . . . . 0.0 112.359 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.556 HG22 ' CE2' ' A' ' 64' ' ' TYR . 70.5 p -122.02 -178.71 3.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.36 -45.29 3.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -63.96 -38.75 92.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.5 170.73 9.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.7 p -112.5 111.64 22.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.7 -162.87 28.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.9 mp -108.0 106.7 21.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.686 ' O ' HD23 ' A' ' 44' ' ' LEU . 49.2 m95 -110.59 173.42 6.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.73 HD12 HG21 ' A' ' 80' ' ' VAL . 13.3 mt -132.38 121.5 23.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.66 78.79 0.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.392 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.461 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 39.2 mt -73.35 171.25 13.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 0.0 110.995 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.74 132.85 14.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 71' ' ' TYR . 14.2 mt -105.06 172.27 6.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -108.82 31.22 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.6 p -168.66 170.44 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.54 90.46 5.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -154.3 36.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.14 -162.84 11.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.538 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.21 -51.25 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.735 0.302 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -77.98 147.54 34.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -98.66 31.42 2.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.415 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 100.61 -28.33 16.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.451 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.37 137.79 52.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.802 0.334 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.83 100.15 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.08 -116.62 4.25 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.421 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.93 30.01 7.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -159.97 157.59 29.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.24 149.22 52.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.556 ' CE2' HG22 ' A' ' 36' ' ' THR . 4.4 m-85 -118.0 -6.23 10.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.387 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.419 ' CE2' ' HA3' ' A' ' 72' ' ' GLY . 14.9 p90 -170.96 163.56 7.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.93 129.23 56.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.8 p -173.8 -178.9 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.47 167.19 38.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.3 122.27 11.2 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.564 2.176 . . . . 0.0 112.282 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 62.28 62.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.504 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.6 m-85 -125.78 -52.11 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.419 ' HA3' ' CE2' ' A' ' 65' ' ' PHE . . . -91.32 177.8 41.21 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.0 m -150.5 165.75 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 0.0 111.235 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.0 119.56 25.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.487 HG21 ' CG1' ' A' ' 80' ' ' VAL . 5.5 m -137.27 179.89 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.076 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 79' ' ' ARG . 27.6 mtm105 -109.56 156.36 39.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -45.32 -51.26 8.07 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.524 2.149 . . . . 0.0 111.374 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.3 m -55.33 -22.98 21.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.785 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 76' ' ' ARG . 5.2 mtt180 -93.84 -10.1 35.15 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.961 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.73 HG21 HD12 ' A' ' 44' ' ' LEU . 12.6 m -133.64 124.88 48.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-O 121.061 0.457 . . . . 0.0 111.544 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -129.13 128.37 43.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.843 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -112.54 14.18 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.282 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 53.06 -177.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.775 0.321 . . . . 0.0 111.111 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.08 154.43 9.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.552 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.3 mt 63.21 122.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 111.066 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.8 m 60.54 177.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.62 -171.95 47.35 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.526 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.26 96.76 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.576 2.184 . . . . 0.0 112.288 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 p -109.89 -32.37 7.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.27 177.3 7.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.492 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 112.586 -0.206 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -98.34 -35.58 10.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -147.49 115.1 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.89 -92.0 0.78 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -72.21 135.51 46.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.13 160.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.28 -172.7 5.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.602 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 60.14 162.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.481 ' O ' HG22 ' A' ' 10' ' ' THR . . . -164.52 -96.84 0.11 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.508 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 9' ' ' GLY . 15.2 t 45.11 -167.1 0.01 OUTLIER 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.841 0.353 . . . . 0.0 111.327 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.02 -20.51 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.409 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.2 mttt 63.18 143.6 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.939 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.1 mt -97.5 163.49 12.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -132.79 156.98 46.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -66.68 108.71 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.0 29.72 4.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.65 163.93 14.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -112.42 108.59 17.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.5 m -119.39 167.63 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.451 HD12 ' C ' ' A' ' 26' ' ' GLU . 10.2 tp -132.38 137.02 47.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.3 mt -72.79 152.3 41.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -106.65 32.68 4.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 m -143.22 -47.57 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.816 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.7 m -94.98 -19.15 20.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.1 t30 67.43 37.87 3.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.827 0.346 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' C ' HD12 ' A' ' 20' ' ' LEU . 4.0 mm-40 -125.76 134.29 51.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.43 ' N ' HD12 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -78.02 158.65 29.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.57 149.53 23.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.6 m -86.65 142.59 28.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.12 134.48 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -116.94 -40.04 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -138.57 153.88 48.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.488 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.6 t -147.48 127.64 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.0 178.79 17.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.33 170.39 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.566 2.177 . . . . 0.0 112.256 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.425 ' OG1' ' HB3' ' A' ' 39' ' ' ALA . 40.8 p -121.92 -172.93 2.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.26 -31.04 9.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 39' ' ' ALA . 15.1 p90 -91.01 -31.45 16.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.444 ' N ' ' CD1' ' A' ' 38' ' ' PHE . . . -106.67 178.33 4.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.5 59.49 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.77 -128.99 1.3 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.7 mp -141.11 116.15 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.753 0.311 . . . . 0.0 111.189 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -123.71 169.62 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.529 ' CD1' HG21 ' A' ' 80' ' ' VAL . 18.6 mt -125.71 126.64 44.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.36 85.7 1.33 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.541 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.3 mt -79.3 164.26 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -148.89 110.39 4.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 71' ' ' TYR . 25.9 mt -80.15 -179.97 7.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -97.28 -33.91 11.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.934 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.8 p -115.74 177.49 4.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.753 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . . . -77.97 89.23 4.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.99 48.38 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.33 -161.27 8.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.66 31.73 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.805 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.502 ' ND2' HD12 ' A' ' 74' ' ' LEU . 56.6 m-20 -133.01 178.1 7.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -134.46 31.18 3.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.415 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 91.35 -51.37 3.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -130.69 164.84 24.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 111.133 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -151.97 123.18 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.1 -134.39 12.45 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -108.56 30.08 6.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -144.59 170.25 16.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.17 151.5 42.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.432 ' HB2' ' CD1' ' A' ' 65' ' ' PHE . 23.5 m-85 -130.77 -48.28 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 64' ' ' TYR . 8.3 p90 -152.72 166.3 32.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.85 117.9 29.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.3 p -156.3 -177.11 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -81.35 163.0 56.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.19 117.94 4.09 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.488 2.125 . . . . 0.0 112.314 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 62.59 61.26 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.753 ' CE1' ' HB2' ' A' ' 51' ' ' ALA . 4.8 m-85 -128.24 -47.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -87.75 175.61 45.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 m -148.95 146.94 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 111.167 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.502 HD12 ' ND2' ' A' ' 55' ' ' ASN . 0.8 OUTLIER -112.75 113.3 25.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.1 m -127.85 167.84 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -97.58 154.37 37.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.006 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.607 ' HA ' HG22 ' A' ' 80' ' ' VAL . 88.2 Cg_exo -46.2 -53.01 6.38 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.432 2.088 . . . . 0.0 111.21 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 p -56.05 -23.56 34.14 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.783 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' ARG . 26.3 mmt85 -87.91 -11.32 47.97 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.517 179.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.607 HG22 ' HA ' ' A' ' 77' ' ' PRO . 35.7 m -122.53 169.88 13.39 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.066 0 CA-C-O 120.9 0.381 . . . . 0.0 111.181 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.8 161.28 36.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -167.42 -174.5 2.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.46 -58.37 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.88 -54.89 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 mt 60.44 85.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 111.074 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.7 p -68.27 -31.17 70.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 154.4 -72.3 0.26 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.3 175.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.605 2.203 . . . . 0.0 112.323 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.0 p -136.2 -178.62 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -74.05 -52.52 12.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.479 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.72 83.83 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 110.837 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -154.1 -52.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.88 -116.28 8.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.604 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 p -87.56 168.16 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -164.76 91.64 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.57 -167.58 12.97 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.52 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.82 129.9 42.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.341 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.64 46.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 p -82.12 174.56 11.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.362 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.461 HG22 ' CG ' ' A' ' 77' ' ' PRO . 21.5 t -149.8 -58.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.98 31.37 11.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.417 HD12 ' CG1' ' A' ' 11' ' ' VAL . 13.0 mt -128.36 136.01 50.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -132.6 47.54 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 60.9 113.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.22 39.91 1.0 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 m -138.33 169.51 17.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.791 0.329 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -105.75 137.47 43.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.608 HG21 HD21 ' A' ' 46' ' ' LEU . 17.2 m -143.98 149.21 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 26' ' ' GLU . 8.5 tp -115.83 142.76 46.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.6 mt -81.64 146.93 29.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.793 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.1 p -83.9 -24.47 30.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.1 m -93.1 -73.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -58.1 -26.56 62.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 63.96 38.05 8.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.754 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.51 ' C ' HD12 ' A' ' 20' ' ' LEU . 1.3 mm-40 -123.88 143.15 50.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.0 mtp -75.76 148.96 38.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.699 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -148.0 146.83 29.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 m -90.42 137.24 32.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.64 114.21 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -108.04 -30.48 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -146.26 138.29 25.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.5 134.55 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.48 178.26 16.42 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.98 173.03 11.76 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.587 2.192 . . . . 0.0 112.288 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.3 p -122.64 168.5 12.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -31.53 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' A' ' 39' ' ' ALA . 55.6 p90 -81.9 -46.72 13.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' N ' ' CD2' ' A' ' 38' ' ' PHE . . . -111.57 155.63 23.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.56 143.26 33.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.81 -131.09 6.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.433 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.9 mt -135.36 125.8 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -131.12 140.94 50.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.703 HD11 ' N ' ' A' ' 77' ' ' PRO . 0.6 OUTLIER -113.63 106.62 14.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.42 77.87 0.13 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.429 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.699 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 43.8 mt -70.88 166.98 19.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -147.2 120.11 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.6 mt -95.45 162.68 13.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.8 -32.94 35.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.3 p -114.0 172.75 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.83 106.74 5.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -155.63 31.37 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -131.71 -170.99 12.73 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -138.43 31.19 2.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.859 0.362 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -145.76 149.69 34.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -98.42 30.75 3.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.439 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 66.81 26.27 73.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.54 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -160.05 135.76 8.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.0 107.87 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.88 -138.07 16.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -98.77 30.06 3.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.68 169.52 17.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -130.33 161.91 30.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -132.48 -56.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.439 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 11.7 p90 -136.68 168.51 19.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.7 m -121.54 125.75 47.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.1 p -166.95 -179.31 4.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -73.51 164.73 58.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.986 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.44 121.71 10.42 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.527 2.151 . . . . 0.0 112.278 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 60.98 56.73 2.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.42 ' CD2' ' HB2' ' A' ' 68' ' ' LYS . 3.6 m-85 -120.08 -43.63 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.71 174.18 27.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.5 m -140.95 162.63 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.827 0.346 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.1 mt -122.44 105.1 9.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.485 ' O ' HD12 ' A' ' 44' ' ' LEU . 5.3 m -127.63 176.64 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -106.28 153.77 40.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.995 -179.892 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.807 ' HA ' HG22 ' A' ' 80' ' ' VAL . 85.7 Cg_exo -46.78 -52.04 8.2 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.368 2.045 . . . . 0.0 111.194 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.0 m -56.0 -22.97 29.99 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.833 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' ARG . 1.6 mmp_? -92.15 -9.22 43.23 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.798 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.807 HG22 ' HA ' ' A' ' 77' ' ' PRO . 11.1 m -121.97 134.07 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 CA-C-O 120.942 0.401 . . . . 0.0 111.489 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.86 145.8 50.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.949 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -143.87 -46.94 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 -171.9 145.44 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.98 -179.95 21.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.9 tt -157.46 141.32 7.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.83 0.348 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.52 -176.45 5.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.81 -157.66 16.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.81 143.31 50.21 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.591 2.194 . . . . 0.0 112.357 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.02 98.27 8.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.6 m -96.96 151.77 19.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.303 -1.276 . . . . 0.0 112.475 179.922 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.117 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.19 31.68 2.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -152.6 101.89 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.51 80.2 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.473 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.7 p -91.34 89.84 7.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.31 110.5 3.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.3 -89.26 0.57 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.529 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 60.18 31.29 20.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.865 0.365 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.78 -41.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.8 m -158.07 113.15 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.48 95.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.95 139.35 30.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mt 63.42 136.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -113.89 -66.78 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -178.2 152.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 59.61 28.89 65.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.499 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 m -99.94 168.05 10.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -109.04 148.84 30.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 m -151.68 175.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.498 HD11 ' C ' ' A' ' 25' ' ' ASN . 49.0 tp -137.4 131.8 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.5 mt -73.41 145.27 45.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 t -98.71 31.44 2.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -131.72 -46.28 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.4 m -113.53 -8.51 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.259 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.498 ' C ' HD11 ' A' ' 20' ' ' LEU . 2.9 m120 63.1 35.02 13.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -106.7 131.27 54.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 33.0 mtp -71.91 149.53 45.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -148.85 149.96 32.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.6 m -97.47 133.08 42.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.06 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.01 115.09 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -99.16 -34.86 10.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.04 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -143.4 143.1 31.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.638 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.7 t -133.23 114.58 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.19 -169.34 40.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.24 179.84 3.66 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.609 2.206 . . . . 0.0 112.313 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.818 HG22 ' CE2' ' A' ' 64' ' ' TYR . 14.1 p -131.87 -178.56 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.78 -30.31 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.429 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 44.9 p90 -83.07 -33.22 26.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.934 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.15 -37.84 4.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.174 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.37 105.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.782 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.658 ' O ' HD13 ' A' ' 42' ' ' ILE . . . 168.08 -114.65 0.58 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.658 HD13 ' O ' ' A' ' 41' ' ' GLY . 24.3 mm -137.16 100.93 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 111.119 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.696 ' O ' HD23 ' A' ' 44' ' ' LEU . 59.1 m95 -126.7 179.98 5.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.696 HD23 ' O ' ' A' ' 43' ' ' TRP . 7.5 mt -143.39 127.13 17.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.09 91.92 1.14 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.529 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 74.8 mt -81.61 163.87 22.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -153.03 137.44 16.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.674 HD12 ' O ' ' A' ' 71' ' ' TYR . 9.1 mt -120.53 173.55 7.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.93 36.21 3.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.0 t -170.64 174.35 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.64 68.12 5.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.05 33.23 4.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.937 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.74 -161.4 8.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.547 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.18 42.44 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 0.0 110.829 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.422 ' OD1' HG22 ' A' ' 59' ' ' VAL . 5.1 m-20 -158.0 141.38 15.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -99.19 26.79 5.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.424 ' HA2' ' CD2' ' A' ' 65' ' ' PHE . . . 93.56 -41.86 2.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.59 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.98 137.62 42.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.619 HG21 HD11 ' A' ' 74' ' ' LEU . 22.8 t -127.11 117.88 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.071 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.66 -116.07 8.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -110.0 25.75 11.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.74 0.305 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.05 157.87 29.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.864 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 ptt-85 -126.84 145.04 50.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.983 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.818 ' CE2' HG22 ' A' ' 36' ' ' THR . 35.4 m-85 -112.25 -16.34 13.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.424 ' CD2' ' HA2' ' A' ' 57' ' ' GLY . 15.5 p90 -161.84 166.88 25.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.7 m -115.52 125.81 53.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.5 p -164.88 -174.82 3.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -90.02 170.32 10.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.89 119.72 7.06 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.502 2.135 . . . . 0.0 112.275 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 63.91 51.88 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.674 ' O ' HD12 ' A' ' 48' ' ' LEU . 8.5 m-85 -118.94 -41.95 2.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.77 169.86 19.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.8 m -143.3 158.12 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 111.113 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 59' ' ' VAL . 8.4 mt -112.71 124.0 51.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.2 m -150.0 161.88 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 79' ' ' ARG . 18.3 mtt180 -97.38 159.31 31.5 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.57 ' HA ' HG22 ' A' ' 80' ' ' VAL . 85.2 Cg_exo -44.6 -55.84 3.01 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.509 2.139 . . . . 0.0 111.449 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 m -55.75 -23.21 28.03 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.896 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 76' ' ' ARG . 0.9 OUTLIER -89.58 -10.13 47.21 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.718 179.173 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.57 HG22 ' HA ' ' A' ' 77' ' ' PRO . 24.3 m -121.96 138.18 53.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 CA-C-O 120.967 0.413 . . . . 0.0 111.337 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.39 150.12 25.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -173.5 120.79 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.61 103.72 12.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.916 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -167.79 64.14 0.2 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 pt -101.82 -29.36 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.8 t -111.76 -75.22 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -126.65 102.54 0.63 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.558 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -50.54 -27.53 19.31 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.619 2.212 . . . . 0.0 112.277 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -77.51 -69.84 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.821 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -112.91 105.16 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.471 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.107 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 m -135.61 -47.59 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 t -98.69 83.34 2.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.73 43.63 2.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.416 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.01 169.02 8.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -112.96 -63.27 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.09 108.82 3.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.45 -40.98 17.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.03 66.82 1.71 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 m -121.5 125.03 45.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.19 92.8 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.059 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -69.84 132.76 46.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.483 HD22 HD22 ' A' ' 44' ' ' LEU . 4.5 mp 59.85 106.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -87.56 -175.99 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -82.32 120.3 25.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.49 50.6 2.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -120.77 164.63 16.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -107.33 120.44 42.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.748 HG12 ' HB3' ' A' ' 82' ' ' TYR . 20.8 m -130.75 164.03 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.2 tp -120.17 154.0 35.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.0 mt -99.53 142.82 30.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -98.64 28.81 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.2 m -134.06 -46.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.764 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.2 m -103.48 -20.08 14.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 t30 67.83 41.81 2.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.938 0.399 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -127.99 137.54 52.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.86 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.39 159.91 32.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.536 ' HB1' ' HB3' ' A' ' 46' ' ' LEU . . . -158.22 141.57 15.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m -87.9 133.82 33.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.01 124.66 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.152 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -111.12 -41.48 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -131.92 153.57 50.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.515 HG22 HD23 ' A' ' 44' ' ' LEU . 21.4 t -152.0 138.38 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.89 -155.36 21.2 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.6 173.77 10.34 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.551 2.167 . . . . 0.0 112.281 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.7 p -139.65 -178.54 5.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -119.41 31.57 6.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.412 ' CD2' ' N ' ' A' ' 39' ' ' ALA . 54.9 p90 -149.16 -46.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.412 ' N ' ' CD2' ' A' ' 38' ' ' PHE . . . -93.5 -27.31 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.92 35.66 10.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.804 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -139.4 -163.54 9.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.3 mt -96.27 104.61 16.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 111.07 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -125.9 167.52 15.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.515 HD23 HG22 ' A' ' 33' ' ' VAL . 1.4 mp -128.09 120.77 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.72 69.0 0.58 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.536 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 81.4 mt -62.06 155.48 23.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.818 0.342 . . . . 0.0 110.972 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.29 107.64 5.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.409 ' CD2' ' HB2' ' A' ' 28' ' ' ALA . 4.4 mt -85.29 160.17 19.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.93 36.95 1.47 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 m -170.15 148.29 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.78 97.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -162.1 35.48 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -124.92 -149.66 7.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.548 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -147.59 31.53 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.787 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.413 ' ND2' HD12 ' A' ' 74' ' ' LEU . 72.6 m-80 -156.7 152.79 27.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -89.33 -31.57 17.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.418 ' HA2' ' CE2' ' A' ' 65' ' ' PHE . . . 159.33 -27.83 0.38 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.499 ' HB2' ' HD2' ' A' ' 63' ' ' ARG . . . -125.11 152.59 44.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.56 127.01 55.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.76 -127.69 36.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.9 29.93 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -143.29 154.98 44.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.929 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.499 ' HD2' ' HB2' ' A' ' 58' ' ' ALA . 1.3 tpp180 -107.4 159.83 16.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -139.83 -48.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.418 ' CE2' ' HA2' ' A' ' 57' ' ' GLY . 7.8 p90 -150.06 179.08 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 t -136.22 124.06 22.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.0 p -167.56 -178.06 3.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.55 173.42 3.45 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.21 119.77 7.21 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.579 2.186 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 61.69 50.35 4.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.021 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -108.86 -31.61 7.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.33 160.93 13.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.6 m -138.41 167.25 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.36 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.413 HD12 ' ND2' ' A' ' 55' ' ' ASN . 1.9 mp -125.62 115.71 20.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.492 ' O ' HD12 ' A' ' 44' ' ' LEU . 5.3 m -129.94 173.86 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.003 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 4.4 mtt180 -91.65 147.11 34.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.606 ' HA ' HG22 ' A' ' 80' ' ' VAL . 83.3 Cg_exo -46.18 -50.71 9.64 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.349 2.033 . . . . 0.0 111.144 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.2 p -56.19 -24.04 39.22 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.69 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 76' ' ' ARG . 14.6 mmm-85 -86.43 -11.4 51.98 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.517 179.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.606 HG22 ' HA ' ' A' ' 77' ' ' PRO . 28.9 m -122.04 164.22 19.32 Favored 'Isoleucine or valine' 0 C--N 1.338 0.07 0 CA-C-O 120.927 0.394 . . . . 0.0 111.178 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -152.09 160.07 43.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.978 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.748 ' HB3' HG12 ' A' ' 19' ' ' VAL . 2.2 p90 -164.07 -173.06 3.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -139.11 132.06 29.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 160.95 141.46 3.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.3 pt -72.19 73.57 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.908 0.385 . . . . 0.0 111.194 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 51.64 29.4 5.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.159 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -168.14 142.41 7.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.571 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.51 107.04 2.39 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.555 2.17 . . . . 0.0 112.303 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.4 p 56.7 103.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.011 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.2 t 59.33 164.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.463 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.72 131.62 44.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.4 129.24 26.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.05 99.25 2.49 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.57 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.61 30.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t 58.73 175.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.55 103.68 1.0 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.436 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.55 -32.9 13.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.491 ' O ' HG22 ' A' ' 10' ' ' THR . . . -120.9 110.35 1.7 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 9' ' ' GLY . 15.1 t 45.32 -167.61 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.863 0.363 . . . . 0.0 111.345 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -117.05 139.57 43.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -86.39 158.45 19.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.467 HD13 HG21 ' A' ' 30' ' ' VAL . 21.2 mt -125.07 -177.0 3.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.06 34.6 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 60.52 110.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.9 34.79 1.21 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.89 168.62 17.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.354 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -100.46 145.58 28.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.1 m -147.27 167.46 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.0 tp -131.72 141.05 49.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.775 HD23 HG12 ' A' ' 80' ' ' VAL . 13.1 mt -89.73 149.48 22.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.44 31.3 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.8 m -138.64 -47.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.4 m -100.46 -16.21 17.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.197 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 m120 61.61 41.02 12.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.929 0.395 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -126.6 129.09 47.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.8 mtp -67.0 156.9 34.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.471 ' HB3' HD13 ' A' ' 46' ' ' LEU . . . -156.03 155.77 33.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.7 m -96.78 142.04 29.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.467 HG21 HD13 ' A' ' 13' ' ' LEU . 26.7 t -84.04 124.78 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.03 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -112.17 -35.11 5.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -140.53 153.63 46.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.772 HG13 ' CD2' ' A' ' 44' ' ' LEU . 21.9 t -145.05 121.65 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.93 -158.86 27.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.17 -175.87 1.4 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.565 2.177 . . . . 0.0 112.297 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.899 HG22 ' CZ ' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -133.37 177.38 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -96.36 -30.44 13.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -103.48 31.32 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -174.67 166.58 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.69 86.74 2.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -178.24 -137.14 2.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -123.14 136.8 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -146.68 168.83 20.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.772 ' CD2' HG13 ' A' ' 33' ' ' VAL . 7.7 mt -138.74 104.81 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.953 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.59 89.89 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' A' ' 28' ' ' ALA . 64.2 mt -76.89 175.58 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -157.11 113.98 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 71' ' ' TYR . 1.7 mt -88.24 175.26 7.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -92.72 -33.02 14.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.17 175.89 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.19 94.03 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.022 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -146.1 37.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.08 -170.98 12.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -129.22 31.21 4.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -136.22 153.92 51.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -112.92 30.06 7.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.416 ' HA2' ' CD1' ' A' ' 65' ' ' PHE . . . 91.57 -47.32 2.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.577 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.77 127.14 55.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -109.66 111.98 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.46 -122.32 12.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.78 29.98 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -158.58 175.32 13.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -148.51 144.8 27.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.899 ' CZ ' HG22 ' A' ' 36' ' ' THR . 42.4 m-85 -111.32 -18.89 12.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.416 ' CD1' ' HA2' ' A' ' 57' ' ' GLY . 16.4 p90 -159.35 156.25 28.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.97 102.27 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 p -144.64 -175.2 4.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.998 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -80.71 169.22 20.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.15 118.73 5.32 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.55 2.166 . . . . 0.0 112.275 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 62.01 52.58 3.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.055 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.662 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.7 m-85 -114.3 -36.26 4.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.781 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.79 175.05 16.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.52 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.8 m -146.6 163.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.312 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.621 HD11 ' CD1' ' A' ' 64' ' ' TYR . 1.6 mt -114.75 116.23 28.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.488 HG21 ' CG1' ' A' ' 80' ' ' VAL . 14.2 m -134.86 169.49 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.461 ' O ' HG22 ' A' ' 80' ' ' VAL . 16.9 mtm105 -103.08 153.67 38.16 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.037 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.483 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 81.3 Cg_exo -44.93 -54.98 3.7 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.518 2.145 . . . . 0.0 111.325 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.75 -23.36 28.92 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.844 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 76' ' ' ARG . 2.3 mmp_? -89.85 -10.3 45.84 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.61 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.775 HG12 HD23 ' A' ' 21' ' ' LEU . 5.5 m -124.54 125.27 69.89 Favored 'Isoleucine or valine' 0 C--O 1.23 0.056 0 CA-C-O 120.922 0.391 . . . . 0.0 111.303 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.6 m -84.43 130.05 34.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -137.82 112.26 8.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.27 136.74 25.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -150.89 87.56 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.438 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 27.9 mm 61.76 112.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 111.072 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.83 134.96 34.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.68 67.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.523 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.3 62.08 3.43 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.631 2.221 . . . . 0.0 112.279 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.55 -48.39 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -150.83 96.96 2.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.481 179.955 . . . . . . . . 0 0 . 1 stop_ save_