data_2dn9_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 2dn9 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.816 0.341 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -49.62 -43.68 46.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -49.85 -34.75 20.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -79.42 -44.24 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.21 -43.35 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 28' ' ' TYR . 32.2 mt -80.83 -39.27 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.3 36.85 3.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.466 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.1 m -123.62 154.46 66.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 154.23 67.84 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.31 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -54.88 -23.88 20.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -111.15 40.85 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.95 173.05 3.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.4 p -115.92 145.89 42.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -38.84 -44.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -61.89 -50.42 72.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -45.04 88.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.52 -46.68 86.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -64.96 -57.66 8.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -52.37 -50.2 62.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.874 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.34 -56.38 21.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.407 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 18.5 t80 -40.88 -56.76 2.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -61.1 -46.84 88.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -51.14 -51.32 54.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.17 -50.86 59.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -46.16 -53.89 9.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -59.31 -35.14 73.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 34' ' ' LYS . 7.8 tmtm? -69.63 -40.76 76.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -102.97 38.44 1.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.552 0.691 . . . . 0.0 110.893 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.864 0.364 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -38.56 -35.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -79.16 -38.81 35.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 46' ' ' ALA . 24.8 mttt -61.36 -49.91 75.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -52.76 -49.08 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.0 m -51.34 -43.47 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -59.62 -40.35 87.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.8 mt -57.74 -66.16 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -41.23 -52.52 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -57.54 -44.58 85.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.8 -54.38 47.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 64.5 t80 -58.0 -57.1 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 57' ' ' TYR . 29.0 tt0 -35.75 -50.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.83 -60.93 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 62' ' ' ASP . 73.2 mt -50.8 -66.59 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.484 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 92.1 p -38.92 -28.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.7 t70 -92.26 119.69 32.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -59.44 -38.92 81.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.36 -56.11 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -62.16 -41.92 98.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -60.48 -47.5 85.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -57.59 -52.67 64.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -62.33 -42.85 99.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.961 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.23 -32.41 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.0 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.834 0.349 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.551 ' CD1' ' HB2' ' A' ' 56' ' ' ALA . 24.8 m-85 -59.14 -44.32 92.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.535 ' CE1' HD21 ' A' ' 60' ' ' LEU . 37.3 m-85 -53.77 -24.09 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -89.22 -38.88 13.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.52 -33.8 63.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.438 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 32.4 mt -92.81 -29.47 15.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.93 40.2 6.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.438 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -123.93 153.84 67.54 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.711 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 156.81 62.58 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.4 mtt85 -63.44 -11.46 23.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -128.18 38.69 3.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.6 176.81 5.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 t -103.05 152.45 21.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -51.04 -25.14 4.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.55 -47.95 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -18.51 35.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.0 mt -83.36 -39.57 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -68.51 -49.15 61.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -59.32 -51.42 70.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.9 -49.89 72.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -52.85 -50.88 62.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -63.02 -41.19 99.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -55.62 -45.28 77.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 10.9 mt -76.71 -44.13 34.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.67 -66.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -47.85 -37.52 14.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -66.26 -39.5 89.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -109.22 39.79 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.54 0.686 . . . . 0.0 110.896 179.911 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.84 0.353 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.56 -57.49 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.33 -35.41 73.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -64.29 -44.32 92.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -58.9 -49.68 76.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.4 t -49.86 -41.33 45.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -63.44 -43.84 96.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.401 HD23 ' CB ' ' A' ' 31' ' ' LEU . 91.0 mt -60.67 -59.59 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.26 -44.8 72.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.8 -48.42 81.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.551 ' HB2' ' CD1' ' A' ' 9' ' ' TYR . . . -63.36 -46.33 87.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -60.14 -44.09 95.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -54.33 -43.03 70.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.21 -62.11 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.535 HD21 ' CE1' ' A' ' 10' ' ' TYR . 55.1 mt -55.63 -62.52 1.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.6 p -38.25 -48.26 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -74.51 120.36 19.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -59.27 -33.38 70.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 88.3 t -71.49 -61.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -50.97 -46.84 61.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -49.82 -61.84 1.9 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -41.15 -47.46 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -64.32 -38.98 92.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -63.43 -52.08 63.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.889 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -48.28 -43.3 32.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -52.66 -34.59 52.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -79.29 -43.57 23.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.0 mt -55.83 -32.7 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.414 ' CD2' ' HA ' ' A' ' 28' ' ' TYR . 28.8 mt -92.94 -28.68 16.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.03 26.56 15.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.4 m -112.88 149.39 41.18 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.605 0.717 . . . . 0.0 111.138 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 156.68 62.64 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.746 2.297 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -58.79 -26.51 64.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -104.14 43.28 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.84 158.53 16.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m -103.22 159.86 15.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -42.4 -49.04 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -50.38 -56.8 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -51.98 -47.44 64.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.4 mt -57.32 -46.55 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -58.53 -64.54 0.89 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -46.5 -49.51 18.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.28 80.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.414 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 15.3 t80 -62.9 -58.74 6.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -59.95 -34.02 72.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -62.15 -59.17 5.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 34' ' ' LYS . 3.4 mm? -57.04 -58.13 9.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.78 -61.62 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -45.55 -30.04 1.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' LEU . 41.7 tttm -75.49 -48.26 23.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -101.86 43.67 1.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 110.848 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.86 0.362 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -33.51 4.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -81.46 -33.95 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -66.87 -43.44 83.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -57.17 -52.0 67.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 p -43.65 -46.27 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -61.16 -35.83 78.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.45 -68.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.18 -41.1 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -67.62 -39.87 84.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.44 86.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -75.22 -45.81 37.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -51.66 -56.55 13.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 37.1 t -60.76 -61.32 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 61' ' ' SER . 60.5 mt -50.51 -68.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' LEU . 51.1 m -37.14 -42.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.88 102.92 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -44.14 -40.48 5.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.9 -62.12 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -53.89 -35.94 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -65.55 -48.15 73.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -54.36 -49.29 70.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -69.91 -40.99 75.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -60.55 -37.63 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.0 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.883 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.807 0.337 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.421 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 22.0 m-85 -49.78 -50.96 42.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.482 ' CE1' HD23 ' A' ' 60' ' ' LEU . 92.2 m-85 -44.75 -42.01 7.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -68.21 -39.32 82.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.07 -43.66 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.442 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 29.6 mt -83.96 -28.43 27.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.28 32.12 17.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.6 m -116.74 148.97 43.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 142.68 48.7 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.26 . . . . 0.0 112.382 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -44.88 -37.21 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -98.64 42.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.91 129.46 34.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLU . 28.2 m -59.36 139.35 57.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -38.46 -38.48 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.96 -44.77 95.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' SER . 5.9 tp10 -60.34 -41.38 93.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 93.3 mt -62.94 -41.46 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.5 ttpt -69.84 -62.95 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -47.6 -41.58 22.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.47 -47.73 69.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -54.33 -48.35 71.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -64.4 -34.37 78.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.939 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -64.22 -54.96 25.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 21.8 mt -62.31 -50.25 72.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.0 -55.96 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -57.63 -34.75 69.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.97 -31.55 66.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -111.27 36.57 3.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.572 0.701 . . . . 0.0 110.838 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.882 0.372 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -37.57 -48.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.79 -37.49 84.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -63.7 -51.78 63.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -52.87 -51.09 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.5 t -53.92 -39.84 66.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -65.85 -33.21 75.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.8 mt -68.42 -55.23 12.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.32 -52.93 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -58.04 -40.51 81.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.421 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -64.01 -38.99 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 40.5 t80 -74.72 -58.24 3.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' TYR . 24.6 tt0 -37.36 -38.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.3 t -73.62 -60.24 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.482 HD23 ' CE1' ' A' ' 10' ' ' TYR . 50.3 mt -56.44 -58.6 7.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 95.3 p -40.11 -43.38 1.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -73.49 161.75 30.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.68 -36.17 10.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.8 t -74.46 -44.28 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -67.12 -38.59 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -68.16 -49.37 61.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -56.68 -45.88 81.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -68.81 -41.22 78.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.96 -35.82 81.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.914 179.925 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.765 0.317 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -49.27 -20.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.444 ' CE1' HD23 ' A' ' 60' ' ' LEU . 54.9 m-85 -71.85 -35.19 69.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.413 ' CG ' ' N ' ' A' ' 12' ' ' ILE . 1.5 pt20 -73.36 -42.8 61.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.422 HG22 ' NE2' ' A' ' 52' ' ' GLN . 87.3 mt -55.5 -40.32 58.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.2 mt -89.24 -34.08 16.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.12 46.59 4.4 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.449 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 m -132.54 150.46 75.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.732 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 19' ' ' ALA . 54.5 Cg_endo -69.72 140.18 42.19 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.381 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 mtm-85 -41.84 -32.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -98.64 39.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -84.07 128.86 34.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 t -62.59 150.42 40.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -47.9 -37.42 14.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -60.93 -46.4 90.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -59.16 -41.07 87.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.1 mt -67.53 -39.4 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -66.97 -43.36 83.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -71.28 -50.16 35.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.06 -49.45 71.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 54' ' ' ALA . 8.8 t80 -55.16 -68.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -50.69 -42.17 56.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.951 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -58.75 -38.52 78.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 mt -75.41 -57.44 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -46.63 -54.74 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -51.82 -36.15 46.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -72.26 -43.94 63.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.901 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -98.16 37.77 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.831 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.896 0.379 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -44.78 -57.25 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.12 -40.07 76.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -64.55 -24.0 67.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -83.94 -37.87 21.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.6 m -69.69 -25.51 63.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 11.9 pt20 -82.93 -39.63 21.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.459 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 38.3 mt -55.98 -56.94 14.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 28' ' ' TYR . . . -48.17 -60.3 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -44.24 -47.88 9.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.19 -60.73 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.425 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 77.1 t80 -51.04 -45.65 61.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -55.87 -48.58 75.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.6 t -63.91 -57.24 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.444 HD23 ' CE1' ' A' ' 10' ' ' TYR . 63.2 mt -59.48 -62.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' LEU . 98.5 p -35.45 -52.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -68.23 137.95 55.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.71 -30.16 59.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.2 -57.86 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -57.61 -44.38 85.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -59.72 -56.17 25.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -52.42 -45.07 65.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -67.97 -36.87 80.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -65.64 -48.59 71.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.775 0.321 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.543 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 26.6 m-85 -50.42 -52.89 33.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.514 ' CE2' ' CE2' ' A' ' 69' ' ' TYR . 57.6 m-85 -43.32 -33.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.909 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -81.14 -38.55 26.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.5 mt -64.37 -46.01 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.465 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 27.1 mt -79.94 -31.72 40.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.68 36.71 7.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -119.47 154.91 54.5 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.599 0.714 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 148.15 64.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -52.24 -21.12 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -117.33 41.87 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.54 177.86 6.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.4 m -119.8 149.08 42.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -39.54 -35.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -64.68 -50.21 67.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.84 -42.36 97.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.9 mt -63.06 -40.91 90.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -67.88 -51.66 45.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -58.03 -58.11 9.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.54 -48.82 57.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.479 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 36.0 t80 -52.41 -57.76 8.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -57.88 -37.99 74.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -60.6 -39.51 88.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.466 HD11 ' CD2' ' A' ' 53' ' ' LEU . 54.8 mt -78.81 -54.48 6.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.62 -65.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.072 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -43.98 -41.13 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 9.3 ttmm -66.63 -39.59 88.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.425 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 59.9 m-85 -108.45 37.9 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.551 0.691 . . . . 0.0 110.843 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.843 0.354 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.74 -52.71 2.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -61.91 -43.09 99.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -56.58 -62.0 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -47.76 -51.14 23.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -46.21 -41.34 12.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -71.95 -44.45 63.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.466 ' CD2' HD11 ' A' ' 31' ' ' LEU . 71.1 mt -54.29 -60.82 2.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.479 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -47.64 -56.75 6.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -53.6 -41.31 66.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.543 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -61.41 -38.55 87.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -75.07 -46.19 36.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -53.96 -48.96 69.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.68 -57.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 61' ' ' SER . 81.9 mt -56.59 -67.37 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 60' ' ' LEU . 60.1 p -36.76 -51.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -68.46 111.87 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -49.4 -41.32 39.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.8 t -65.29 -67.64 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -47.19 -37.75 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -62.47 -54.37 41.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -49.84 -43.4 48.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -66.82 -44.04 82.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.514 ' CE2' ' CE2' ' A' ' 10' ' ' TYR . 1.3 t80 -61.02 -43.24 99.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.0 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.78 0.324 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.512 ' CD1' ' HB2' ' A' ' 56' ' ' ALA . 20.9 m-85 -49.02 -41.65 35.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.468 ' CE1' HD21 ' A' ' 60' ' ' LEU . 55.8 m-85 -53.82 -28.57 36.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -81.66 -40.97 22.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.4 mt -59.47 -38.84 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.405 HD11 ' CD1' ' A' ' 60' ' ' LEU . 38.4 mt -87.69 -36.97 17.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.37 44.95 3.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.88 151.47 78.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.62 0.724 . . . . 0.0 111.099 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 140.2 42.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.238 . . . . 0.0 112.317 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -46.16 -30.07 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -99.6 36.35 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.8 159.01 30.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' LYS . 18.9 t -95.62 141.08 29.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' SER . 4.0 tp-100 -37.29 -30.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' SER . 72.5 mttt -68.05 -58.56 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -50.76 -46.57 59.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.7 mt -53.71 -53.96 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 tttp -55.74 -66.81 0.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -43.31 -48.87 6.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.67 -52.07 66.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.078 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.563 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 19.5 t80 -49.56 -60.89 2.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -56.02 -53.69 53.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -47.59 -54.86 10.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' LYS . 23.6 mt -61.73 -57.62 11.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' LEU . . . -37.46 -58.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -55.82 -35.4 66.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 4.4 tmtm? -67.98 -47.45 68.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.499 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 88.4 m-85 -96.75 44.08 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.57 0.7 . . . . 0.0 110.894 179.924 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.828 0.347 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.66 -56.94 2.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -66.65 -33.67 76.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -59.86 -49.33 78.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -58.82 -52.36 66.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -50.06 -36.54 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -67.09 -44.51 79.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.5 mt -53.07 -59.12 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.563 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -55.57 -43.02 75.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -57.22 -47.71 80.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.512 ' HB2' ' CD1' ' A' ' 9' ' ' TYR . . . -65.12 -45.14 86.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.083 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -57.75 -46.84 83.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -51.86 -48.72 63.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.7 -57.58 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.468 HD21 ' CE1' ' A' ' 10' ' ' TYR . 25.9 mt -55.44 -63.78 1.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 81.2 p -40.89 -34.15 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.94 117.81 25.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -56.2 -42.97 78.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.64 -62.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -55.3 -42.18 73.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -60.61 -54.69 42.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -49.99 -43.38 50.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -68.32 -42.52 79.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.449 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -64.32 -36.27 83.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 t0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.836 0.35 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -53.14 -40.32 64.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -53.24 -42.78 66.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -68.25 -45.06 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 88.5 mt -51.62 -39.94 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 60' ' ' LEU . 27.9 mt -89.29 -30.3 18.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.74 37.99 5.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 m -119.48 151.05 50.99 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.654 0.74 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 142.35 48.07 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.74 2.293 . . . . 0.0 112.37 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.8 mtt-85 -46.52 -24.54 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -107.4 37.17 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.76 151.27 30.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 t -89.78 149.92 22.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -43.31 -47.74 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -53.5 -47.46 69.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.68 -35.55 76.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.4 mt -64.06 -51.34 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.181 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -55.77 -55.58 30.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -54.36 -53.99 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.97 -35.7 67.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.511 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 16.6 t80 -63.12 -53.52 52.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -64.69 -27.92 69.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -68.68 -57.45 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' LYS . 8.0 mp -68.33 -47.63 66.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -39.96 -34.85 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -88.5 -32.87 18.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.548 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 6.7 tmtm? -65.14 -37.11 86.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.548 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 72.2 m-85 -101.93 24.22 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 121.567 0.699 . . . . 0.0 110.865 179.937 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.828 0.347 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -47.76 -59.52 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -36.25 76.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -61.13 -43.77 98.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -61.66 -51.66 67.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.9 p -52.51 -34.29 49.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -71.08 -39.85 71.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.1 mt -55.53 -63.05 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.511 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -45.09 -48.89 11.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -58.94 -51.06 71.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.18 -43.66 70.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -66.09 -45.41 81.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -52.91 -42.58 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.2 t -75.63 -62.04 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.459 ' CD1' HD12 ' A' ' 13' ' ' LEU . 92.7 mt -44.44 -50.47 9.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.9 p -53.69 -41.03 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -87.66 94.2 9.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -41.81 -37.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.9 t -62.41 -51.84 67.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -64.03 -36.46 84.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.5 ttp-105 -63.03 -48.8 77.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -45.26 -49.11 12.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.6 -36.26 83.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -63.14 -43.26 98.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.866 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.0 t0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -47.59 -47.65 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.547 ' CE1' ' CD2' ' A' ' 60' ' ' LEU . 31.2 m-85 -47.85 -33.83 7.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -78.4 -43.47 27.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.6 mt -56.58 -40.08 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 28' ' ' TYR . 27.9 mt -83.46 -36.81 23.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.14 38.26 3.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.457 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 m -124.22 152.13 67.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 111.134 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 143.27 50.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -42.71 -36.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -101.64 44.98 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.63 145.53 31.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -84.65 152.07 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -39.83 -46.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -56.28 -48.62 76.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.61 -44.21 96.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.5 mt -61.87 -44.5 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -66.73 -46.41 75.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -62.17 -54.7 37.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.03 -45.07 42.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.434 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 38.6 t80 -57.4 -54.83 42.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -57.34 -37.41 72.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -65.34 -54.55 27.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -60.5 -47.04 87.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -49.26 -60.5 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -51.28 -37.39 47.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -66.67 -46.38 75.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -103.67 47.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.862 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.886 0.374 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -43.32 -32.96 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -83.82 -37.94 21.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -61.01 -43.94 98.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -61.46 -47.68 84.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 t -48.33 -42.97 32.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -65.98 -45.86 80.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.0 mt -51.64 -60.02 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.433 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -47.81 -55.56 9.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -51.81 -55.68 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.21 -42.59 51.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -67.78 -45.37 75.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -60.13 -38.83 84.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.8 t -75.0 -58.85 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.547 ' CD2' ' CE1' ' A' ' 10' ' ' TYR . 86.1 mt -54.09 -51.39 64.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 p -52.09 -46.92 65.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -71.48 115.69 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.34 -39.36 31.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.8 t -67.27 -70.04 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -44.19 -51.44 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -49.7 -60.57 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -47.74 -50.93 23.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -56.31 -23.0 34.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -93.71 -26.47 17.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.451 ' OD1' ' C ' ' A' ' 70' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -58.82 -43.09 90.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -53.96 -36.78 63.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -69.99 -41.09 74.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.56 -40.35 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.3 mt -79.82 -35.39 38.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.84 40.06 3.68 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 m -126.75 149.91 69.83 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.652 0.739 . . . . 0.0 111.113 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.78 143.59 51.23 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.731 2.287 . . . . 0.0 112.364 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -41.6 -36.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -97.18 40.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -70.19 175.13 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' GLN . 33.6 t -117.95 145.07 44.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' SER . 4.8 tp60 -35.22 -48.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -58.19 -59.37 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -46.85 -40.42 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.7 mt -60.72 -51.83 68.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -57.63 11.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.34 -51.46 14.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.36 -53.96 52.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.506 ' CD1' ' HB2' ' A' ' 57' ' ' TYR . 49.7 t80 -47.49 -45.72 26.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -65.21 -41.16 94.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.925 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -58.17 -55.23 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.6 mt -69.67 -53.07 20.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -42.47 -40.9 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -72.2 -38.77 68.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' HD3' ' CZ ' ' A' ' 35' ' ' TYR . 22.1 ttmt -62.46 -42.94 99.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.568 ' CD1' ' HD3' ' A' ' 49' ' ' LYS . 63.4 m-85 -107.53 36.88 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.843 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.879 0.371 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -45.32 -48.2 13.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.44 -40.09 73.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.568 ' HD3' ' CD1' ' A' ' 35' ' ' TYR . 18.9 mttm -64.11 -66.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -42.57 -32.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.6 t -68.93 -41.13 78.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 49' ' ' LYS . 7.7 mt-30 -74.1 -35.66 64.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.81 -57.88 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.99 -44.3 78.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -63.57 -43.49 96.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.81 -54.26 37.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.506 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 64.7 t80 -60.39 -39.95 89.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -57.62 -39.96 78.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.7 t -75.03 -62.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 mt -49.84 -53.3 26.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.2 p -52.98 -26.73 16.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' GLU . 1.6 t70 -93.73 92.1 7.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 62' ' ' ASP . 7.0 pt-20 -37.55 -43.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.61 -56.1 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -61.44 -47.62 84.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.6 ttt-85 -48.96 -58.55 4.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -45.86 -45.01 14.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -67.29 -39.0 85.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -66.06 -39.58 90.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.3 t0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 179.912 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.813 0.339 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -52.95 -39.61 63.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -56.27 -27.08 54.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -83.55 -44.12 14.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.0 mt -56.9 -41.78 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.6 mt -84.75 -39.93 17.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.4 39.06 4.58 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.0 m -124.08 149.37 60.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 143.06 49.68 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.643 2.229 . . . . 0.0 112.375 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -48.34 -31.05 5.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -97.72 34.01 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.99 159.32 26.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 21' ' ' GLN . 3.7 t -98.42 148.79 23.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 20' ' ' SER . 81.7 mm-40 -37.17 -52.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -47.91 -55.49 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -50.47 -49.81 54.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.7 mt -56.42 -42.79 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -62.19 -63.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -47.06 -55.83 7.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.68 -49.81 67.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.045 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -53.7 -55.0 30.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -58.61 -45.24 89.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -51.78 -53.01 44.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' ALA . 66.4 mt -66.9 -54.83 18.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' LEU . . . -35.8 -58.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -48.92 -43.44 39.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.495 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 74.6 tttt -66.62 -44.36 82.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.495 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 88.2 m-85 -100.72 39.92 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.583 0.706 . . . . 0.0 110.806 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.852 0.358 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -39.59 -53.57 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -62.44 -49.52 75.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -49.92 -61.49 2.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -46.9 -44.92 20.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 m -58.11 -42.89 86.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -65.44 -34.21 77.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.17 -59.45 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.77 -40.99 69.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.57 -43.81 88.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.86 -51.14 63.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -61.33 -44.4 97.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -56.44 -52.32 65.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.08 -63.21 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.8 mt -49.79 -61.19 2.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.5 p -43.37 -30.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.819 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -90.73 110.1 21.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -51.1 -31.01 17.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.1 t -73.55 -61.89 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -51.34 -48.63 62.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -53.62 -49.55 67.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -54.34 -49.54 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -60.75 -42.2 96.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.429 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 2.8 t80 -71.43 -25.11 62.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.894 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.766 0.317 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -57.71 -37.44 73.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.405 ' CE2' ' CE2' ' A' ' 69' ' ' TYR . 73.7 m-85 -54.74 -25.47 27.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -85.88 -38.21 18.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.22 -34.96 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.2 mt -91.9 -22.14 20.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.39 39.61 10.87 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.13 152.92 64.36 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.652 0.739 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 155.82 65.0 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -11.45 13.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -123.29 38.13 4.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.49 172.77 7.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 21' ' ' GLN . 23.2 t -111.16 141.91 44.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 20' ' ' SER . 11.7 mm100 -35.85 -35.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.473 ' N ' ' HE3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -66.21 -53.71 33.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -59.61 -36.84 77.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.92 -46.32 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -65.5 -58.63 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -50.89 -51.19 54.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -38.38 69.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.448 ' CG ' ' HB2' ' A' ' 57' ' ' TYR . 23.0 t80 -67.07 -60.8 2.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -54.37 -45.73 72.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -52.56 -52.8 53.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 34' ' ' LYS . 35.1 mt -64.77 -54.43 31.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -37.86 -53.03 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -58.51 -35.51 72.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 31' ' ' LEU . 35.2 tttm -71.19 -35.38 71.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -113.29 53.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.802 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.861 0.362 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.72 -57.48 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.25 -38.88 91.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -55.94 -57.09 13.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -51.35 -48.18 62.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.2 m -49.54 -40.2 37.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -65.41 -42.21 92.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.0 mt -55.44 -63.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.71 -44.5 48.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -62.51 -32.49 73.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.11 -52.14 11.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.448 ' HB2' ' CG ' ' A' ' 28' ' ' TYR . 57.7 t80 -62.51 -44.94 95.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -53.53 -49.41 67.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.2 -62.64 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 61' ' ' SER . 14.2 mt -51.67 -60.81 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 60' ' ' LEU . 85.9 p -36.21 -47.48 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.68 119.3 21.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.7 -36.99 72.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 86.2 t -65.87 -58.38 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -59.51 -36.51 76.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.6 ttt-85 -65.46 -53.69 39.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -53.18 -38.24 62.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -75.94 -34.99 59.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.405 ' CE2' ' CE2' ' A' ' 10' ' ' TYR . 3.2 t80 -68.19 -39.8 82.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 t0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.901 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 8' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.788 0.328 . . . . 0.0 110.833 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.408 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 19.9 m-85 -48.73 -40.48 28.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.979 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -55.0 -36.34 65.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -76.2 -44.36 38.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.403 HD13 ' NE2' ' A' ' 52' ' ' GLN . 91.9 mt -55.72 -42.03 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.6 mt -86.28 -19.17 30.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.64 32.07 38.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.492 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.2 m -113.88 152.2 45.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.627 0.727 . . . . 0.0 111.103 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 152.57 69.38 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.712 2.274 . . . . 0.0 112.363 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.3 mtt-85 -59.8 -20.81 59.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -106.72 34.38 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.9 170.36 16.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' GLU . 46.8 t -119.04 148.9 42.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' SER . 12.8 mm100 -35.09 -43.85 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -59.45 -45.57 91.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' SER . 20.3 mt-10 -57.91 -51.64 68.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 3.6 mp -52.21 -36.22 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -66.38 -66.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -45.14 -50.54 11.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.3 -47.05 74.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.477 ' CB ' ' O ' ' A' ' 24' ' ' ILE . 7.3 t80 -52.08 -62.17 1.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -50.85 -51.85 47.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -43.51 -51.86 6.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.9 mt -70.45 -55.42 9.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.67 -32.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -82.33 -35.43 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -68.9 -32.93 72.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -113.08 37.38 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.562 0.696 . . . . 0.0 110.879 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.816 0.341 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -53.47 -35.86 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -82.88 -38.56 22.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -61.01 -48.61 81.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -57.16 -48.04 79.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.1 m -54.05 -37.64 64.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.403 ' NE2' HD13 ' A' ' 12' ' ' ILE . 12.0 mm100 -68.22 -42.29 80.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.72 -68.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.19 -39.39 4.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -67.47 -44.04 79.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.408 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -60.05 -46.96 87.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.47 ' CE2' ' HB3' ' A' ' 61' ' ' SER . 26.1 t80 -67.61 -59.11 3.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.973 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -37.47 -37.15 0.19 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.0 t -77.13 -63.17 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 mt -54.71 -61.51 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.47 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 46.5 p -39.7 -32.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -90.4 108.16 19.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -46.95 -36.2 7.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.1 t -68.46 -68.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -45.08 -51.07 10.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.2 ttt-85 -50.68 -58.23 6.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -40.7 -49.56 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -65.77 -36.78 84.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -63.28 -39.08 93.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.889 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.807 0.337 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -70.15 -39.59 75.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -50.77 -36.33 36.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -78.49 -47.0 18.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.5 mt -54.63 -35.46 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.434 HD12 ' CD1' ' A' ' 60' ' ' LEU . 29.4 mt -92.23 -32.95 14.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.19 33.96 7.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 m -117.65 147.57 41.21 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.641 0.734 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 146.9 61.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.716 2.277 . . . . 0.0 112.314 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.94 -32.48 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -106.45 42.51 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.68 152.6 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 m -82.19 146.36 29.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -41.68 -50.02 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 23' ' ' GLU . 16.0 ptmt -52.04 -50.05 62.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 10.3 tt0 -55.09 -43.0 73.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.9 mt -58.52 -47.25 88.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -65.76 -55.87 14.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -50.55 -39.39 49.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.97 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.502 ' CD2' ' CG ' ' A' ' 57' ' ' TYR . 11.1 t80 -45.91 -54.42 8.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -61.44 -52.21 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -47.36 -53.67 13.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.54 -50.05 71.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.98 -50.79 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -61.49 -35.22 77.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.467 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 4.8 tmtm? -68.48 -41.75 79.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.467 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 87.1 m-85 -106.84 47.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 110.851 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.821 0.343 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -42.09 -35.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -85.71 -30.24 23.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 46' ' ' ALA . 39.8 mmtt -67.6 -44.42 78.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -63.24 -52.99 59.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -48.38 -43.23 33.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -68.11 -45.24 74.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.5 mt -50.99 -59.32 4.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.08 -57.77 5.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -53.3 -45.47 68.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.5 -47.4 79.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.502 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 47.4 t80 -66.97 -43.96 81.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -60.04 -39.18 85.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.3 t -72.96 -60.7 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.434 ' CD1' HD12 ' A' ' 13' ' ' LEU . 69.7 mt -53.59 -48.86 68.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p -49.07 -51.08 33.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -69.43 126.65 30.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -61.12 -29.75 69.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.3 t -74.67 -63.19 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -49.69 -38.23 32.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -66.57 -48.25 70.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -54.24 -48.47 71.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -67.84 -43.78 78.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.75 -35.85 79.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.892 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.806 0.336 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -54.88 -39.17 68.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.487 ' CE1' HD23 ' A' ' 60' ' ' LEU . 56.1 m-85 -56.05 -30.69 62.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -81.18 -41.56 22.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.74 -40.03 81.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.439 ' CD1' HD12 ' A' ' 60' ' ' LEU . 25.5 mt -84.8 -42.51 15.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.64 42.63 2.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.71 151.08 78.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.58 0.705 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.54 51.03 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.312 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -47.6 -32.24 5.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -99.5 37.43 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.49 156.11 33.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 21' ' ' GLN . 5.7 t -95.4 141.98 28.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' SER . 27.2 mm-40 -35.7 -45.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -53.38 -51.85 61.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -60.01 -45.13 93.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 87.5 mt -57.02 -45.47 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -61.66 -61.84 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.05 -55.31 10.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.57 -51.87 57.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.11 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -46.17 -54.55 8.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -63.86 -49.5 72.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -46.49 -48.35 19.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.33 -50.82 23.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.82 -62.05 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -50.04 -42.06 48.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -61.04 -39.6 90.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -109.01 42.02 1.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 121.556 0.693 . . . . 0.0 110.871 179.92 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.863 0.363 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -41.44 -58.31 1.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.81 -46.07 90.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -51.31 -58.0 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -54.31 -48.25 71.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.5 t -52.74 -49.02 66.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -63.37 -36.21 82.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.86 -60.2 4.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.9 -54.82 20.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -54.36 -37.94 65.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.44 -51.66 64.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -61.26 -44.82 96.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -48.98 -42.09 36.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.91 -62.2 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.487 HD23 ' CE1' ' A' ' 10' ' ' TYR . 60.2 mt -52.76 -61.64 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 60' ' ' LEU . 58.6 p -37.77 -48.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -76.16 137.75 40.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 64' ' ' VAL . 12.4 pt-20 -72.63 -44.2 62.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.411 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 54.5 t -60.6 -48.57 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -64.43 -49.02 73.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -55.66 -55.77 28.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -50.91 -43.56 59.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -67.17 -42.98 83.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.459 ' CE2' ' CE2' ' A' ' 10' ' ' TYR . 2.2 t80 -70.87 -21.77 62.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.903 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.861 0.362 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -52.64 -35.66 55.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -60.92 -28.24 68.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -82.63 -38.89 22.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.83 -37.06 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.466 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 25.5 mt -90.7 -19.99 22.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.05 47.99 10.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.95 150.85 76.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 111.154 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 144.02 53.0 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.1 mtt-85 -47.25 -33.62 5.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -94.18 34.37 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.05 128.88 33.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.9 t -71.44 152.53 43.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -44.1 -50.27 8.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 23' ' ' GLU . 6.2 ptmm? -48.4 -43.04 33.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 4.6 tp10 -63.99 -51.81 62.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.3 mt -53.75 -39.78 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -57.3 9.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.14 -55.16 36.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.05 -53.5 33.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -51.64 -68.2 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -44.22 -39.97 4.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -60.0 -63.57 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 77.1 mt -57.26 -53.31 59.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.11 -55.65 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -65.17 -34.24 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HE3' ' CE2' ' A' ' 35' ' ' TYR . 28.6 ttpt -64.58 -25.71 68.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.469 ' CE2' ' HE3' ' A' ' 34' ' ' LYS . 83.3 m-85 -123.82 39.58 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 121.588 0.709 . . . . 0.0 110.869 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.862 0.363 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.422 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -49.07 -38.32 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -76.11 -36.32 58.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -65.61 -60.88 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -43.32 -49.53 6.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.5 t -55.94 -41.46 74.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -69.57 -46.99 65.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.6 mt -52.05 -60.81 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.38 -48.6 36.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -56.63 -50.54 71.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.0 -45.79 75.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -64.81 -47.3 78.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.925 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -51.05 -50.33 58.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.837 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.9 -61.62 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.164 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' SER . 41.0 mt -53.01 -63.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 60' ' ' LEU . 24.5 p -36.82 -48.61 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -74.5 114.31 12.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.43 -42.18 70.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.3 -57.28 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -59.77 -40.56 88.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -59.0 -49.74 76.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -54.46 -48.86 71.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -64.48 -47.58 78.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -58.11 -42.95 86.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.805 0.336 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -58.26 -45.56 87.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -48.63 -45.1 37.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -70.86 -44.64 65.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -53.39 -37.99 31.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 28' ' ' TYR . 35.7 mt -89.36 -30.77 18.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.6 38.9 5.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.9 m -124.36 151.74 66.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.03 61.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -61.66 -16.21 46.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -109.64 33.68 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.95 170.06 16.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -118.37 168.82 10.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -58.23 -29.09 65.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.37 -52.64 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -59.16 -39.19 81.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.2 mt -66.3 -36.51 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -69.58 -39.96 77.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -75.22 -43.6 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.69 81.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.419 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 16.0 t80 -63.66 -66.75 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -48.12 -35.59 11.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -58.75 -56.6 20.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 31' ' ' LEU . 4.2 mm? -66.56 -43.55 84.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.53 -29.44 50.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -83.83 -33.2 24.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.439 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 9.5 ttmm -69.76 -29.05 66.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.439 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 95.7 m-85 -118.19 38.44 3.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 110.881 179.923 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.876 0.369 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -40.22 -55.68 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -68.33 -32.78 73.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -61.43 -43.45 98.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -67.26 -44.14 80.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.7 m -50.56 -41.68 54.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -67.65 -50.57 57.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.7 mt -48.14 -62.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.21 -50.37 38.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -57.61 -33.18 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.26 -52.56 39.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -61.72 -44.01 97.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -51.51 -47.88 63.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.7 -55.94 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.2 mt -56.36 -66.68 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.8 p -37.94 -38.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.25 113.31 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -56.18 -33.56 65.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.1 t -74.16 -60.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -50.05 -44.79 51.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.7 ttt-85 -57.04 -55.97 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -43.01 -43.27 4.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -74.52 -34.32 62.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.513 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -68.16 -30.99 70.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.7 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.907 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.878 0.371 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -56.3 -41.96 76.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -49.82 -28.79 6.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -84.06 -41.1 17.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.2 mt -60.49 -36.98 73.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 36.2 mt -88.8 -35.52 16.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.57 39.85 4.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.496 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 m -123.67 150.03 60.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 0.0 111.153 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 140.99 44.24 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.728 2.285 . . . . 0.0 112.364 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -46.08 -21.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -107.38 37.32 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.07 -177.29 4.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.047 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 21' ' ' GLN . 34.1 t -133.22 153.86 51.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' SER . 2.6 mp0 -37.37 -52.05 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -52.66 -57.21 10.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -55.8 -41.11 73.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.4 mt -63.75 -41.44 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -68.84 -57.9 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -52.16 -40.96 62.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.65 -45.94 67.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.549 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 13.2 t80 -51.83 -49.59 62.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -64.41 -42.45 96.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.973 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -53.15 -47.43 68.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.991 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.36 -54.69 8.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.23 -51.35 3.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -54.3 -41.35 68.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -67.73 -48.25 67.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -94.11 34.72 1.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.822 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.818 0.342 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -52.04 -35.24 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -80.93 -43.01 20.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.45 -57.95 10.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -44.51 -41.46 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 m -58.56 -41.75 86.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -71.02 -34.29 71.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.8 mt -64.16 -50.4 68.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.549 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -62.7 -51.95 65.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -51.62 -43.14 62.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.4 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -57.98 -43.42 86.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -69.26 -45.45 69.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.56 -50.3 74.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.3 t -59.11 -61.21 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.5 mt -54.1 -63.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.7 p -41.22 -37.06 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -78.96 109.45 13.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -49.85 -36.5 27.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.57 -64.67 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -46.78 -42.15 16.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -56.45 -59.66 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -44.2 -42.18 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -66.1 -40.45 90.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -65.73 -48.22 72.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -48.86 -35.23 14.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.493 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 40.1 m-85 -55.89 -33.38 64.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -77.46 -42.24 36.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.0 -36.93 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.454 HD12 ' CD1' ' A' ' 60' ' ' LEU . 39.6 mt -89.79 -40.68 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.02 40.25 3.59 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 m -129.12 151.23 77.34 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.663 0.744 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 19' ' ' ALA . 53.5 Cg_endo -69.8 139.27 39.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.329 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.493 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 73.8 mtp180 -41.97 -34.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -96.19 39.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -75.6 164.42 26.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' GLN . 3.6 m -102.87 143.42 32.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' SER . 51.8 mm-40 -37.92 -39.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -62.5 -56.17 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -59.41 -42.92 92.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.76 -43.53 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -70.81 -52.83 18.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -53.06 -42.47 65.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.94 68.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.096 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.709 ' CD2' ' CG ' ' A' ' 57' ' ' TYR . 11.8 t80 -72.69 -52.17 16.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -61.24 -36.75 80.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -60.41 -50.16 74.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.437 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 12.2 mt -70.86 -44.34 66.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.09 -34.92 68.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -80.49 -35.94 34.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.525 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -69.65 -35.37 75.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.561 ' CD1' ' HE3' ' A' ' 49' ' ' LYS . 60.1 m-85 -114.07 30.96 6.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.721 . . . . 0.0 110.837 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.886 0.375 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -61.37 -45.88 92.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -78.19 -45.03 24.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.561 ' HE3' ' CD1' ' A' ' 35' ' ' TYR . 8.1 mtpp -56.17 -44.88 79.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -59.64 -47.53 85.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 m -57.88 -48.35 80.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -61.04 -35.51 77.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.8 mt -67.91 -63.05 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -51.78 -44.47 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.39 -44.04 88.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.6 -40.89 96.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.709 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 61.6 t80 -71.82 -58.68 3.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -38.91 -29.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' TYR . 54.4 t -84.71 -63.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.454 ' CD1' HD12 ' A' ' 13' ' ' LEU . 32.2 mt -53.72 -53.01 58.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.4 p -42.44 -40.69 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -86.24 122.01 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.28 -38.58 71.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 t -68.57 -68.86 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -46.47 -32.95 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -66.57 -57.88 6.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -46.16 -42.43 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -69.06 -42.23 76.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -54.46 -41.44 69.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.6 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.902 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -49.06 -38.79 25.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.556 ' CE1' HD21 ' A' ' 60' ' ' LEU . 60.4 m-85 -55.49 -36.18 66.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -74.04 -40.1 63.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.2 mt -59.33 -33.48 51.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.465 HD12 ' CD1' ' A' ' 60' ' ' LEU . 67.3 mt -92.14 -28.28 17.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.85 36.3 7.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.8 m -121.24 147.03 46.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.656 0.741 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 146.23 59.48 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.254 . . . . 0.0 112.346 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.0 -25.26 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -104.96 36.27 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.53 159.93 24.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 m -94.84 151.07 19.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -42.59 -54.28 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -47.72 -48.94 29.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -57.62 -36.56 71.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.6 mt -66.22 -43.65 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -70.65 -41.43 72.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.22 -50.62 69.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.05 -50.93 72.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.465 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 21.7 t80 -47.25 -68.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -50.54 -46.72 57.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -53.44 -34.65 58.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.433 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 20.9 mt -88.23 -26.98 22.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.51 -63.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -53.26 -39.07 63.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.484 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 31.8 tttm -58.85 -35.38 72.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.484 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 53.6 m-85 -116.83 39.36 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.56 0.695 . . . . 0.0 110.856 179.947 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.837 0.351 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 48' ' ' GLU . 19.1 pttm -45.74 -40.96 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.461 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 2.5 tt0 -73.25 -38.38 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -61.78 -53.58 54.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -53.81 -50.36 66.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.8 m -54.55 -27.17 36.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -80.55 -52.84 7.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.9 mt -46.7 -62.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.465 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -45.64 -61.99 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -45.15 -51.66 10.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.85 -57.14 12.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -53.16 -46.42 68.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -48.95 -52.23 25.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.9 t -62.51 -62.91 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.176 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.556 HD21 ' CE1' ' A' ' 10' ' ' TYR . 40.3 mt -52.16 -65.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' LEU . 46.4 p -35.68 -53.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.454 ' CB ' ' HD2' ' A' ' 65' ' ' LYS . 9.2 t0 -72.21 108.18 5.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 64' ' ' VAL . 8.0 pt-20 -45.13 -41.12 7.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.46 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 92.8 t -62.23 -65.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.454 ' HD2' ' CB ' ' A' ' 62' ' ' ASP . 31.0 mttm -50.64 -39.65 51.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -58.85 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -43.96 -44.99 7.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -61.71 -32.89 73.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -80.8 -27.57 36.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.822 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -80.42 115.63 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.39 . . . . 0.0 110.86 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.8 p -60.13 108.54 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.38 92.4 2.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 p -93.68 141.15 28.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -141.67 120.62 12.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.88 -46.04 0.94 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -68.24 104.16 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -49.62 -43.68 46.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -49.85 -34.75 20.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -79.42 -44.24 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.21 -43.35 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 28' ' ' TYR . 32.2 mt -80.83 -39.27 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.3 36.85 3.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.466 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.1 m -123.62 154.46 66.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 154.23 67.84 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.31 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -54.88 -23.88 20.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -111.15 40.85 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.95 173.05 3.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.4 p -115.92 145.89 42.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -38.84 -44.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -61.89 -50.42 72.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -45.04 88.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.52 -46.68 86.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -64.96 -57.66 8.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -52.37 -50.2 62.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.874 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.34 -56.38 21.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.407 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 18.5 t80 -40.88 -56.76 2.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -61.1 -46.84 88.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -51.14 -51.32 54.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.17 -50.86 59.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -46.16 -53.89 9.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -59.31 -35.14 73.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 34' ' ' LYS . 7.8 tmtm? -69.63 -40.76 76.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -102.97 38.44 1.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.524 ' CD2' ' HD2' ' A' ' 37' ' ' PRO . 2.0 t-80 -68.77 140.63 91.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.552 0.691 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.524 ' HD2' ' CD2' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.79 -26.28 27.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.62 2.213 . . . . 0.0 112.35 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.35 -58.02 5.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.8 t -64.24 -32.09 73.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -88.43 84.6 6.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -84.65 -52.41 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -89.37 32.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -130.45 85.67 55.67 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.561 0.696 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -25.63 28.77 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.722 2.281 . . . . 0.0 112.359 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -72.2 -37.84 69.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -49.57 -53.59 22.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -38.56 -35.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -79.16 -38.81 35.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 46' ' ' ALA . 24.8 mttt -61.36 -49.91 75.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -52.76 -49.08 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.0 m -51.34 -43.47 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -59.62 -40.35 87.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.8 mt -57.74 -66.16 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -41.23 -52.52 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -57.54 -44.58 85.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.8 -54.38 47.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 64.5 t80 -58.0 -57.1 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 57' ' ' TYR . 29.0 tt0 -35.75 -50.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.83 -60.93 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 62' ' ' ASP . 73.2 mt -50.8 -66.59 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.484 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 92.1 p -38.92 -28.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.7 t70 -92.26 119.69 32.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -59.44 -38.92 81.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.36 -56.11 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -62.16 -41.92 98.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -60.48 -47.5 85.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -57.59 -52.67 64.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -62.33 -42.85 99.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.961 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.23 -32.41 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -57.57 -36.64 71.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.0 -41.76 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -87.74 20.57 2.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.1 56.91 1.08 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -114.75 147.16 40.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -107.85 83.47 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -11.39 30.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 78' ' ' SER . 8.9 m -52.42 107.9 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 77' ' ' SER . 86.8 p -34.5 142.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.49 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 p -52.61 -16.33 0.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.886 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -132.74 137.18 46.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.28 174.55 30.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 p -81.13 159.57 24.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 p -65.97 89.64 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.5 -52.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.36 108.66 2.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.349 . . . . 0.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.551 ' CD1' ' HB2' ' A' ' 56' ' ' ALA . 24.8 m-85 -59.14 -44.32 92.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.535 ' CE1' HD21 ' A' ' 60' ' ' LEU . 37.3 m-85 -53.77 -24.09 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -89.22 -38.88 13.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.52 -33.8 63.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.438 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 32.4 mt -92.81 -29.47 15.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.93 40.2 6.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.438 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -123.93 153.84 67.54 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.711 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 156.81 62.58 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.4 mtt85 -63.44 -11.46 23.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -128.18 38.69 3.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.6 176.81 5.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 t -103.05 152.45 21.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -51.04 -25.14 4.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.55 -47.95 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -18.51 35.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.0 mt -83.36 -39.57 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -68.51 -49.15 61.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -59.32 -51.42 70.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.9 -49.89 72.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -52.85 -50.88 62.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -63.02 -41.19 99.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -55.62 -45.28 77.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 10.9 mt -76.71 -44.13 34.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.67 -66.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -47.85 -37.52 14.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -66.26 -39.5 89.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -109.22 39.79 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.498 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.7 t-80 -80.59 140.46 51.54 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.54 0.686 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.498 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.73 -30.06 23.04 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.706 2.27 . . . . 0.0 112.318 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.45 ' OD1' ' ND1' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -68.78 -17.54 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.4 p -114.49 -11.38 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -111.98 59.14 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -64.12 -47.15 81.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -90.91 21.4 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -130.03 86.01 55.75 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.637 0.732 . . . . 0.0 110.835 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -31.57 20.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.628 2.219 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -61.96 -26.42 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.26 98.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.08 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.56 -57.49 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.33 -35.41 73.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -64.29 -44.32 92.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -58.9 -49.68 76.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.4 t -49.86 -41.33 45.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -63.44 -43.84 96.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.401 HD23 ' CB ' ' A' ' 31' ' ' LEU . 91.0 mt -60.67 -59.59 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.26 -44.8 72.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.8 -48.42 81.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.551 ' HB2' ' CD1' ' A' ' 9' ' ' TYR . . . -63.36 -46.33 87.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -60.14 -44.09 95.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -54.33 -43.03 70.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.21 -62.11 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.535 HD21 ' CE1' ' A' ' 10' ' ' TYR . 55.1 mt -55.63 -62.52 1.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.6 p -38.25 -48.26 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -74.51 120.36 19.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -59.27 -33.38 70.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 88.3 t -71.49 -61.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -50.97 -46.84 61.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -49.82 -61.84 1.9 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -41.15 -47.46 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -64.32 -38.98 92.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -63.43 -52.08 63.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -57.31 -49.04 77.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.57 -59.85 3.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -64.49 -25.44 68.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.78 81.05 0.52 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.529 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 t -92.67 141.61 28.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.954 0.407 . . . . 0.0 110.836 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.91 175.75 15.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -9.0 25.05 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.8 p 46.94 44.22 14.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t -133.09 162.66 31.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 m -151.3 113.35 4.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -49.87 112.59 0.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.93 105.79 1.68 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -66.46 172.59 3.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 m -118.95 -50.34 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.25 59.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.17 97.81 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -48.28 -43.3 32.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -52.66 -34.59 52.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -79.29 -43.57 23.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.0 mt -55.83 -32.7 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.414 ' CD2' ' HA ' ' A' ' 28' ' ' TYR . 28.8 mt -92.94 -28.68 16.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.03 26.56 15.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.4 m -112.88 149.39 41.18 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.605 0.717 . . . . 0.0 111.138 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 156.68 62.64 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.746 2.297 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -58.79 -26.51 64.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -104.14 43.28 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.84 158.53 16.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m -103.22 159.86 15.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -42.4 -49.04 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -50.38 -56.8 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -51.98 -47.44 64.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.4 mt -57.32 -46.55 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -58.53 -64.54 0.89 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -46.5 -49.51 18.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.28 80.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 15.3 t80 -62.9 -58.74 6.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -59.95 -34.02 72.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -62.15 -59.17 5.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 34' ' ' LYS . 3.4 mm? -57.04 -58.13 9.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.78 -61.62 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -45.55 -30.04 1.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' LEU . 41.7 tttm -75.49 -48.26 23.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -101.86 43.67 1.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.3 t-80 -77.71 140.6 63.59 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 110.848 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.72 -10.07 27.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.742 2.295 . . . . 0.0 112.318 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -77.04 -47.8 19.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 t -87.88 -10.35 50.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.206 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -105.19 77.03 1.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -81.76 -57.65 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -84.82 27.83 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -126.43 85.62 59.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -25.25 28.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -69.88 -34.53 73.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.23 -46.43 72.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -33.51 4.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -81.46 -33.95 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -66.87 -43.44 83.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -57.17 -52.0 67.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 p -43.65 -46.27 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -61.16 -35.83 78.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.45 -68.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.18 -41.1 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -67.62 -39.87 84.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.44 86.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -75.22 -45.81 37.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -51.66 -56.55 13.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 37.1 t -60.76 -61.32 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 61' ' ' SER . 60.5 mt -50.51 -68.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' LEU . 51.1 m -37.14 -42.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.88 102.92 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -44.14 -40.48 5.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.9 -62.12 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -53.89 -35.94 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -65.55 -48.15 73.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -54.36 -49.29 70.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -69.91 -40.99 75.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -60.55 -37.63 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -71.02 -40.22 71.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.67 -56.6 17.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -76.21 -15.45 60.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.42 -74.06 0.34 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.4 m -124.27 174.04 7.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.67 146.66 18.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 77' ' ' SER . 53.3 Cg_endo -69.74 -47.51 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 76' ' ' PRO . 80.1 p -35.92 -51.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.3 p -93.35 -70.11 0.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -66.59 81.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.83 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 t -100.11 105.44 17.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.08 -58.55 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.562 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.0 t -47.83 -43.86 28.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.378 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 m 49.9 45.63 24.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.41 95.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.535 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -90.63 101.85 14.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.421 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 22.0 m-85 -49.78 -50.96 42.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.482 ' CE1' HD23 ' A' ' 60' ' ' LEU . 92.2 m-85 -44.75 -42.01 7.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -68.21 -39.32 82.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.07 -43.66 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.442 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 29.6 mt -83.96 -28.43 27.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.28 32.12 17.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.6 m -116.74 148.97 43.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 142.68 48.7 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.26 . . . . 0.0 112.382 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -44.88 -37.21 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -98.64 42.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.91 129.46 34.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLU . 28.2 m -59.36 139.35 57.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -38.46 -38.48 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.96 -44.77 95.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' SER . 5.9 tp10 -60.34 -41.38 93.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 93.3 mt -62.94 -41.46 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.5 ttpt -69.84 -62.95 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -47.6 -41.58 22.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.47 -47.73 69.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -54.33 -48.35 71.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -64.4 -34.37 78.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.939 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -64.22 -54.96 25.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 21.8 mt -62.31 -50.25 72.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.0 -55.96 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -57.63 -34.75 69.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.97 -31.55 66.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -111.27 36.57 3.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.509 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.1 t-80 -76.71 140.5 67.7 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.572 0.701 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.72 -39.28 6.78 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 2.264 . . . . 0.0 112.385 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -53.64 -34.54 58.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.4 p -96.95 -10.93 25.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -112.27 72.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -78.96 -51.06 10.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -82.4 16.58 2.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -120.06 86.64 37.55 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.555 0.693 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -25.48 28.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.644 2.229 . . . . 0.0 112.373 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -71.2 -37.75 72.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -44.79 -51.02 9.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -37.57 -48.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.79 -37.49 84.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -63.7 -51.78 63.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -52.87 -51.09 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.5 t -53.92 -39.84 66.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -65.85 -33.21 75.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.8 mt -68.42 -55.23 12.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.32 -52.93 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -58.04 -40.51 81.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.421 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -64.01 -38.99 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 40.5 t80 -74.72 -58.24 3.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' TYR . 24.6 tt0 -37.36 -38.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.3 t -73.62 -60.24 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.482 HD23 ' CE1' ' A' ' 10' ' ' TYR . 50.3 mt -56.44 -58.6 7.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 95.3 p -40.11 -43.38 1.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -73.49 161.75 30.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.68 -36.17 10.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.8 t -74.46 -44.28 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -67.12 -38.59 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -68.16 -49.37 61.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -56.68 -45.88 81.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -68.81 -41.22 78.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.96 -35.82 81.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.46 -39.57 73.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.84 -49.62 7.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -84.86 27.8 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.78 -70.15 1.14 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.425 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.7 m -116.89 149.01 40.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.951 0.405 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.92 150.44 24.06 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 91.86 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.649 2.232 . . . . 0.0 112.359 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.3 m -65.93 129.57 40.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -65.52 168.36 7.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -133.89 136.19 44.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.935 0.397 . . . . 0.0 110.828 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -108.55 172.53 6.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.79 -133.1 6.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -48.11 142.05 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 p -158.69 -178.45 7.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.842 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.65 40.95 3.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -82.2 110.05 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.765 0.317 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -49.27 -20.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.444 ' CE1' HD23 ' A' ' 60' ' ' LEU . 54.9 m-85 -71.85 -35.19 69.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.413 ' CG ' ' N ' ' A' ' 12' ' ' ILE . 1.5 pt20 -73.36 -42.8 61.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.422 HG22 ' NE2' ' A' ' 52' ' ' GLN . 87.3 mt -55.5 -40.32 58.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.2 mt -89.24 -34.08 16.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.12 46.59 4.4 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.449 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 m -132.54 150.46 75.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.732 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 19' ' ' ALA . 54.5 Cg_endo -69.72 140.18 42.19 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.381 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 mtm-85 -41.84 -32.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -98.64 39.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -84.07 128.86 34.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 t -62.59 150.42 40.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -47.9 -37.42 14.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -60.93 -46.4 90.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -59.16 -41.07 87.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.1 mt -67.53 -39.4 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -66.97 -43.36 83.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -71.28 -50.16 35.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.06 -49.45 71.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 54' ' ' ALA . 8.8 t80 -55.16 -68.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -50.69 -42.17 56.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.951 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -58.75 -38.52 78.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 mt -75.41 -57.44 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -46.63 -54.74 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -51.82 -36.15 46.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -72.26 -43.94 63.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.901 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -98.16 37.77 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 5.5 t-80 -73.57 140.31 78.58 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.831 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.75 -24.58 29.56 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.0 -46.28 82.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.6 p -82.91 -19.03 38.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.418 ' OD1' ' CB ' ' A' ' 43' ' ' ASP . 16.0 m-80 -98.5 90.34 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -89.77 -30.65 17.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -115.2 30.07 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.418 ' CB ' ' OD1' ' A' ' 40' ' ' ASN . 8.0 t0 -129.25 86.34 56.92 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.63 0.728 . . . . 0.0 110.838 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -25.65 28.43 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.701 2.268 . . . . 0.0 112.334 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -70.68 -40.13 73.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.68 -44.99 27.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -44.78 -57.25 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.12 -40.07 76.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -64.55 -24.0 67.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -83.94 -37.87 21.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.6 m -69.69 -25.51 63.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 53' ' ' LEU . 11.9 pt20 -82.93 -39.63 21.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.459 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 38.3 mt -55.98 -56.94 14.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 28' ' ' TYR . . . -48.17 -60.3 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -44.24 -47.88 9.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.19 -60.73 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.425 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 77.1 t80 -51.04 -45.65 61.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -55.87 -48.58 75.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.6 t -63.91 -57.24 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.444 HD23 ' CE1' ' A' ' 10' ' ' TYR . 63.2 mt -59.48 -62.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' LEU . 98.5 p -35.45 -52.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -68.23 137.95 55.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.71 -30.16 59.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.2 -57.86 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -57.61 -44.38 85.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -59.72 -56.17 25.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -52.42 -45.07 65.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -67.97 -36.87 80.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -65.64 -48.59 71.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -63.06 -40.21 97.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.84 -46.31 89.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -72.08 -28.21 63.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.18 -45.45 73.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.1 t -113.4 170.87 7.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 79' ' ' GLY . . . -156.99 -94.97 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -39.52 6.3 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 t -41.37 -64.65 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 t -106.0 -70.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.532 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -85.7 108.9 18.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 110.805 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -77.28 150.99 35.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.99 -111.74 3.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m 49.84 42.19 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.372 . . . . 0.0 110.803 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -105.2 149.43 25.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.8 86.21 0.49 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -83.86 99.34 10.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.775 0.321 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.543 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 26.6 m-85 -50.42 -52.89 33.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.514 ' CE2' ' CE2' ' A' ' 69' ' ' TYR . 57.6 m-85 -43.32 -33.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.909 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -81.14 -38.55 26.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.5 mt -64.37 -46.01 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.465 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 27.1 mt -79.94 -31.72 40.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.68 36.71 7.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -119.47 154.91 54.5 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.599 0.714 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 148.15 64.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -52.24 -21.12 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -117.33 41.87 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.54 177.86 6.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.4 m -119.8 149.08 42.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -39.54 -35.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -64.68 -50.21 67.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.84 -42.36 97.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.9 mt -63.06 -40.91 90.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -67.88 -51.66 45.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -58.03 -58.11 9.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.54 -48.82 57.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.479 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 36.0 t80 -52.41 -57.76 8.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -57.88 -37.99 74.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -60.6 -39.51 88.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.466 HD11 ' CD2' ' A' ' 53' ' ' LEU . 54.8 mt -78.81 -54.48 6.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.62 -65.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.072 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -43.98 -41.13 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 9.3 ttmm -66.63 -39.59 88.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.425 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 59.9 m-85 -108.45 37.9 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.541 ' CD2' ' HD2' ' A' ' 37' ' ' PRO . 1.9 t-80 -72.96 140.64 80.88 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.551 0.691 . . . . 0.0 110.843 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.541 ' HD2' ' CD2' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.77 -12.64 33.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.384 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.63 -61.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.8 t -75.31 -2.48 28.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -113.96 93.12 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -93.33 -51.4 5.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -96.92 29.13 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -114.37 88.29 15.27 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.552 0.691 . . . . 0.0 110.832 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -25.57 28.25 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.68 2.254 . . . . 0.0 112.336 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -71.32 -37.71 71.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.22 -53.17 54.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.74 -52.71 2.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -61.91 -43.09 99.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -56.58 -62.0 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -47.76 -51.14 23.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -46.21 -41.34 12.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -71.95 -44.45 63.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.466 ' CD2' HD11 ' A' ' 31' ' ' LEU . 71.1 mt -54.29 -60.82 2.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.479 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -47.64 -56.75 6.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -53.6 -41.31 66.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.543 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -61.41 -38.55 87.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -75.07 -46.19 36.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -53.96 -48.96 69.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.68 -57.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 61' ' ' SER . 81.9 mt -56.59 -67.37 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 60' ' ' LEU . 60.1 p -36.76 -51.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -68.46 111.87 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -49.4 -41.32 39.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.8 t -65.29 -67.64 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -47.19 -37.75 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -62.47 -54.37 41.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -49.84 -43.4 48.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -66.82 -44.04 82.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.514 ' CE2' ' CE2' ' A' ' 10' ' ' TYR . 1.3 t80 -61.02 -43.24 99.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -69.28 -47.1 65.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.9 -50.08 14.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -81.07 -28.69 35.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -45.98 136.46 8.32 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.6 p -97.46 140.34 32.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.75 -165.57 24.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 95.23 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.7 m -101.65 97.48 7.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -45.14 -52.4 9.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -64.64 105.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 t -44.24 134.43 4.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.69 160.18 35.22 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.3 p -128.4 89.84 2.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 110.884 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -120.23 81.78 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.53 110.57 0.94 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -77.79 102.69 7.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.78 0.324 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.512 ' CD1' ' HB2' ' A' ' 56' ' ' ALA . 20.9 m-85 -49.02 -41.65 35.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.468 ' CE1' HD21 ' A' ' 60' ' ' LEU . 55.8 m-85 -53.82 -28.57 36.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -81.66 -40.97 22.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.4 mt -59.47 -38.84 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.405 HD11 ' CD1' ' A' ' 60' ' ' LEU . 38.4 mt -87.69 -36.97 17.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.37 44.95 3.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.88 151.47 78.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.62 0.724 . . . . 0.0 111.099 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 140.2 42.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.238 . . . . 0.0 112.317 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -46.16 -30.07 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -99.6 36.35 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.8 159.01 30.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' LYS . 18.9 t -95.62 141.08 29.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' SER . 4.0 tp-100 -37.29 -30.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' SER . 72.5 mttt -68.05 -58.56 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -50.76 -46.57 59.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.7 mt -53.71 -53.96 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 tttp -55.74 -66.81 0.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -43.31 -48.87 6.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.67 -52.07 66.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.078 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.563 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 19.5 t80 -49.56 -60.89 2.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -56.02 -53.69 53.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -47.59 -54.86 10.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' LYS . 23.6 mt -61.73 -57.62 11.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' LEU . . . -37.46 -58.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -55.82 -35.4 66.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 4.4 tmtm? -67.98 -47.45 68.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.499 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 88.4 m-85 -96.75 44.08 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.5 t-80 -79.58 140.5 55.51 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.57 0.7 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.1 Cg_endo -69.77 -4.6 14.37 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -75.21 -62.11 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.0 t -77.08 -8.34 57.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -109.89 78.74 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -85.0 -51.63 6.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.68 25.82 1.03 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.87 87.59 46.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.633 0.73 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -25.5 28.79 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -73.22 -30.17 63.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.53 -46.55 89.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.064 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.66 -56.94 2.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -66.65 -33.67 76.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -59.86 -49.33 78.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -58.82 -52.36 66.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -50.06 -36.54 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -67.09 -44.51 79.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.5 mt -53.07 -59.12 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.563 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -55.57 -43.02 75.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -57.22 -47.71 80.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.512 ' HB2' ' CD1' ' A' ' 9' ' ' TYR . . . -65.12 -45.14 86.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.083 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -57.75 -46.84 83.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -51.86 -48.72 63.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.7 -57.58 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.468 HD21 ' CE1' ' A' ' 10' ' ' TYR . 25.9 mt -55.44 -63.78 1.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 81.2 p -40.89 -34.15 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.94 117.81 25.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -56.2 -42.97 78.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.64 -62.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -55.3 -42.18 73.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -60.61 -54.69 42.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -49.99 -43.38 50.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -68.32 -42.52 79.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.449 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -64.32 -36.27 83.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -55.92 -41.32 74.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.21 -45.55 11.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -90.48 29.94 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -105.71 114.84 4.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.3 p -86.89 166.87 14.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.373 . . . . 0.0 110.905 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.42 168.81 40.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 -30.72 21.26 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.5 p -51.49 154.57 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.2 p -94.14 125.95 39.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.495 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 t -52.94 124.69 14.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -48.15 112.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.93 -142.17 7.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 p -116.22 160.15 20.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.897 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 m -106.86 39.38 1.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.27 62.84 0.28 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.11 108.39 19.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.35 . . . . 0.0 110.821 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -53.14 -40.32 64.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -53.24 -42.78 66.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -68.25 -45.06 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 88.5 mt -51.62 -39.94 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 60' ' ' LEU . 27.9 mt -89.29 -30.3 18.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.74 37.99 5.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 m -119.48 151.05 50.99 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.654 0.74 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 142.35 48.07 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.74 2.293 . . . . 0.0 112.37 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.8 mtt-85 -46.52 -24.54 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -107.4 37.17 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.76 151.27 30.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 t -89.78 149.92 22.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -43.31 -47.74 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -53.5 -47.46 69.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.68 -35.55 76.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.4 mt -64.06 -51.34 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.181 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -55.77 -55.58 30.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -54.36 -53.99 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.97 -35.7 67.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.511 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 16.6 t80 -63.12 -53.52 52.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -64.69 -27.92 69.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -68.68 -57.45 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 34' ' ' LYS . 8.0 mp -68.33 -47.63 66.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -39.96 -34.85 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -88.5 -32.87 18.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.548 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 6.7 tmtm? -65.14 -37.11 86.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.548 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 72.2 m-85 -101.93 24.22 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.556 ' CD2' ' HD2' ' A' ' 37' ' ' PRO . 1.9 t-80 -59.83 140.57 89.83 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.567 0.699 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.556 ' HD2' ' CD2' ' A' ' 36' ' ' HIS . 53.6 Cg_endo -69.76 -25.76 28.26 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.326 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.32 -52.8 51.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.2 p -74.33 -30.26 61.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -86.33 61.05 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -66.32 -49.44 67.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -89.56 24.62 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -132.73 89.99 33.75 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.539 0.685 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -40.59 5.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -55.78 -41.4 74.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.08 -39.08 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -47.76 -59.52 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -36.25 76.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -61.13 -43.77 98.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -61.66 -51.66 67.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.9 p -52.51 -34.29 49.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -71.08 -39.85 71.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.1 mt -55.53 -63.05 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.511 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -45.09 -48.89 11.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -58.94 -51.06 71.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.18 -43.66 70.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -66.09 -45.41 81.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -52.91 -42.58 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.2 t -75.63 -62.04 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.459 ' CD1' HD12 ' A' ' 13' ' ' LEU . 92.7 mt -44.44 -50.47 9.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.9 p -53.69 -41.03 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -87.66 94.2 9.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -41.81 -37.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.9 t -62.41 -51.84 67.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -64.03 -36.46 84.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.5 ttp-105 -63.03 -48.8 77.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -45.26 -49.11 12.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.6 -36.26 83.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -63.14 -43.26 98.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.866 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -75.11 -38.12 61.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.18 -41.58 60.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -96.08 -24.5 16.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.0 -59.71 7.69 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.8 t -113.58 148.36 36.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 110.808 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.98 147.34 5.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 103.85 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.67 2.246 . . . . 0.0 112.319 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 91.7 p -126.06 -46.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.6 t -82.03 -59.47 2.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 p -144.27 162.55 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.9 p -76.8 130.54 37.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.05 130.13 5.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.452 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -111.7 118.33 35.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.925 0.393 . . . . 0.0 110.821 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 m -155.25 166.24 34.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.32 -56.83 0.49 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.09 96.82 3.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -47.59 -47.65 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.547 ' CE1' ' CD2' ' A' ' 60' ' ' LEU . 31.2 m-85 -47.85 -33.83 7.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -78.4 -43.47 27.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.6 mt -56.58 -40.08 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 28' ' ' TYR . 27.9 mt -83.46 -36.81 23.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.14 38.26 3.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.457 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 m -124.22 152.13 67.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 111.134 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 143.27 50.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -42.71 -36.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -101.64 44.98 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.63 145.53 31.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -84.65 152.07 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -39.83 -46.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -56.28 -48.62 76.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.61 -44.21 96.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.5 mt -61.87 -44.5 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -66.73 -46.41 75.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -62.17 -54.7 37.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.03 -45.07 42.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.434 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 38.6 t80 -57.4 -54.83 42.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -57.34 -37.41 72.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -65.34 -54.55 27.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -60.5 -47.04 87.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -49.26 -60.5 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -51.28 -37.39 47.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -66.67 -46.38 75.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -103.67 47.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 3.0 t-80 -79.05 140.55 57.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.6 Cg_endo -69.75 -19.47 36.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -70.39 -40.08 74.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 t -92.67 -17.6 24.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -97.97 52.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.816 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -60.39 -58.73 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -84.51 30.93 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.72 90.19 46.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.624 0.726 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -25.5 28.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.314 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -70.3 -41.14 73.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.78 -49.48 38.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -43.32 -32.96 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -83.82 -37.94 21.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -61.01 -43.94 98.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -61.46 -47.68 84.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 t -48.33 -42.97 32.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -65.98 -45.86 80.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.0 mt -51.64 -60.02 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.433 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -47.81 -55.56 9.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -51.81 -55.68 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.21 -42.59 51.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -67.78 -45.37 75.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -60.13 -38.83 84.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.8 t -75.0 -58.85 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.547 ' CD2' ' CE1' ' A' ' 10' ' ' TYR . 86.1 mt -54.09 -51.39 64.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 p -52.09 -46.92 65.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -71.48 115.69 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.34 -39.36 31.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.8 t -67.27 -70.04 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -44.19 -51.44 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -49.7 -60.57 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -47.74 -50.93 23.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -56.31 -23.0 34.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -93.71 -26.47 17.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.451 ' OD1' ' C ' ' A' ' 70' ' ' ASP . 0.2 OUTLIER -63.43 -35.91 81.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.25 -51.59 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -65.85 -12.63 55.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.98 132.07 10.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 61.8 m -111.04 144.45 40.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.933 0.397 . . . . 0.0 110.846 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.62 83.47 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 171.87 13.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 m -82.39 107.78 15.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 t -143.88 126.79 16.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -75.64 -43.84 45.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.368 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -57.09 131.01 48.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.12 -123.0 1.31 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 p -113.73 115.62 28.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.888 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -139.44 126.72 21.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.64 -47.18 1.67 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -53.1 110.58 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -58.82 -43.09 90.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -53.96 -36.78 63.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -69.99 -41.09 74.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.56 -40.35 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.3 mt -79.82 -35.39 38.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.84 40.06 3.68 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 m -126.75 149.91 69.83 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.652 0.739 . . . . 0.0 111.113 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.78 143.59 51.23 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.731 2.287 . . . . 0.0 112.364 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -41.6 -36.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -97.18 40.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -70.19 175.13 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' GLN . 33.6 t -117.95 145.07 44.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' SER . 4.8 tp60 -35.22 -48.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -58.19 -59.37 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -46.85 -40.42 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.7 mt -60.72 -51.83 68.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -57.63 11.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.34 -51.46 14.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.36 -53.96 52.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.506 ' CD1' ' HB2' ' A' ' 57' ' ' TYR . 49.7 t80 -47.49 -45.72 26.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -65.21 -41.16 94.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.925 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -58.17 -55.23 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.6 mt -69.67 -53.07 20.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -42.47 -40.9 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -72.2 -38.77 68.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' HD3' ' CZ ' ' A' ' 35' ' ' TYR . 22.1 ttmt -62.46 -42.94 99.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.568 ' CD1' ' HD3' ' A' ' 49' ' ' LYS . 63.4 m-85 -107.53 36.88 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.5 t-80 -58.45 140.44 84.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.843 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.559 ' HD3' ' CE1' ' A' ' 50' ' ' PHE . 53.7 Cg_endo -69.77 -13.42 34.61 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -76.74 -39.79 50.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.2 p -79.64 -32.8 41.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.169 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.489 ' OD1' ' CB ' ' A' ' 43' ' ' ASP . 9.8 m-80 -92.55 63.95 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -50.14 87.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 40' ' ' ASN . 32.7 m-20 67.65 55.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.489 ' CB ' ' OD1' ' A' ' 40' ' ' ASN . 1.9 t70 -104.29 137.61 19.28 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.58 0.705 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -47.76 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -58.86 -38.45 78.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.417 ' HB1' ' CG ' ' A' ' 40' ' ' ASN . . . -76.5 -49.64 16.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -45.32 -48.2 13.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.44 -40.09 73.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.568 ' HD3' ' CD1' ' A' ' 35' ' ' TYR . 18.9 mttm -64.11 -66.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.559 ' CE1' ' HD3' ' A' ' 37' ' ' PRO . 4.7 t80 -42.57 -32.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.6 t -68.93 -41.13 78.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 49' ' ' LYS . 7.7 mt-30 -74.1 -35.66 64.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.81 -57.88 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.99 -44.3 78.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -63.57 -43.49 96.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.81 -54.26 37.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.506 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 64.7 t80 -60.39 -39.95 89.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -57.62 -39.96 78.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 66.7 t -75.03 -62.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.1 mt -49.84 -53.3 26.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.2 p -52.98 -26.73 16.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' GLU . 1.6 t70 -93.73 92.1 7.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 62' ' ' ASP . 7.0 pt-20 -37.55 -43.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.61 -56.1 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -61.44 -47.62 84.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.6 ttt-85 -48.96 -58.55 4.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -45.86 -45.01 14.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -67.29 -39.0 85.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.42 ' O ' ' N ' ' A' ' 73' ' ' GLY . 3.8 t80 -66.06 -39.58 90.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -52.11 -45.78 65.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.69 -40.92 18.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -91.25 27.12 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.963 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 69' ' ' TYR . . . -77.71 155.65 43.37 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 84.2 p -101.73 174.71 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 127.8 177.81 15.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 78' ' ' SER . 53.5 Cg_endo -69.82 -27.34 26.29 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.644 2.229 . . . . 0.0 112.336 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.2 m -41.32 96.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 76' ' ' PRO . 1.2 t 48.79 44.83 22.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 p -96.68 125.31 41.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.86 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -81.7 131.89 35.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.91 114.21 1.14 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.538 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 m -95.32 119.83 34.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 0.0 110.883 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 p -46.93 150.11 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.68 52.08 1.46 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.94 98.72 11.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.339 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -52.95 -39.61 63.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -56.27 -27.08 54.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -83.55 -44.12 14.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.0 mt -56.9 -41.78 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.6 mt -84.75 -39.93 17.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.4 39.06 4.58 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.0 m -124.08 149.37 60.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 143.06 49.68 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.643 2.229 . . . . 0.0 112.375 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -48.34 -31.05 5.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -97.72 34.01 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.99 159.32 26.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 21' ' ' GLN . 3.7 t -98.42 148.79 23.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 20' ' ' SER . 81.7 mm-40 -37.17 -52.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -47.91 -55.49 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -50.47 -49.81 54.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.7 mt -56.42 -42.79 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -62.19 -63.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -47.06 -55.83 7.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.68 -49.81 67.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.045 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -53.7 -55.0 30.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -58.61 -45.24 89.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -51.78 -53.01 44.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' ALA . 66.4 mt -66.9 -54.83 18.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' LEU . . . -35.8 -58.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -48.92 -43.44 39.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.495 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 74.6 tttt -66.62 -44.36 82.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.495 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 88.2 m-85 -100.72 39.92 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 3.0 t-80 -75.37 140.68 72.68 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.583 0.706 . . . . 0.0 110.806 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.4 Cg_endo -69.8 -36.07 11.36 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -54.23 -45.61 72.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.8 p -82.07 -39.52 23.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -92.54 81.24 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -78.1 -71.68 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.466 ' O ' ' C ' ' A' ' 43' ' ' ASP . 69.2 m-20 -61.48 -49.23 77.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 42' ' ' ASP . 5.8 m-20 -32.67 96.04 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.581 0.705 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' ASP . 53.9 Cg_endo -69.71 -26.75 27.5 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -74.56 -33.69 62.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.75 -51.99 65.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -39.59 -53.57 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -62.44 -49.52 75.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -49.92 -61.49 2.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -46.9 -44.92 20.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 m -58.11 -42.89 86.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -65.44 -34.21 77.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.17 -59.45 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.77 -40.99 69.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.57 -43.81 88.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.86 -51.14 63.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -61.33 -44.4 97.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -56.44 -52.32 65.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.08 -63.21 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.8 mt -49.79 -61.19 2.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.5 p -43.37 -30.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.819 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -90.73 110.1 21.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -51.1 -31.01 17.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.1 t -73.55 -61.89 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -51.34 -48.63 62.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -53.62 -49.55 67.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -54.34 -49.54 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -60.75 -42.2 96.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.429 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 2.8 t80 -71.43 -25.11 62.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -74.58 -32.48 62.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.16 -45.03 67.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -77.37 -24.3 50.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.07 -83.25 0.71 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.508 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.0 p -136.06 144.29 45.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.363 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.38 -178.07 47.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -33.14 17.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.7 t -56.35 159.01 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.2 m -96.46 104.72 16.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 t -126.87 146.89 50.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.915 0.388 . . . . 0.0 110.88 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 p -148.76 112.6 5.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.21 41.73 0.12 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -118.49 118.79 32.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.826 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.4 p -71.28 85.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.75 85.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -68.11 106.81 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -57.71 -37.44 73.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.405 ' CE2' ' CE2' ' A' ' 69' ' ' TYR . 73.7 m-85 -54.74 -25.47 27.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -85.88 -38.21 18.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.22 -34.96 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.2 mt -91.9 -22.14 20.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.39 39.61 10.87 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.13 152.92 64.36 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.652 0.739 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 155.82 65.0 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -11.45 13.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -123.29 38.13 4.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.49 172.77 7.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 21' ' ' GLN . 23.2 t -111.16 141.91 44.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 20' ' ' SER . 11.7 mm100 -35.85 -35.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.473 ' N ' ' HE3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -66.21 -53.71 33.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -59.61 -36.84 77.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.92 -46.32 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -65.5 -58.63 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -50.89 -51.19 54.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -38.38 69.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.448 ' CG ' ' HB2' ' A' ' 57' ' ' TYR . 23.0 t80 -67.07 -60.8 2.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -54.37 -45.73 72.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -52.56 -52.8 53.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 34' ' ' LYS . 35.1 mt -64.77 -54.43 31.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -37.86 -53.03 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -58.51 -35.51 72.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 31' ' ' LEU . 35.2 tttm -71.19 -35.38 71.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -113.29 53.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 3.6 t-80 -88.2 140.61 30.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.802 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.7 -0.69 7.23 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.389 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -77.53 -61.23 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 t -81.37 -11.12 59.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -114.13 59.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -66.27 -58.09 6.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 43' ' ' ASP . 4.1 p30 -65.78 -50.56 64.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -32.89 96.18 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.608 0.718 . . . . 0.0 110.87 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 42' ' ' ASP . 53.3 Cg_endo -69.78 -25.65 28.27 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.323 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -78.02 -35.25 50.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.99 -55.72 18.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.72 -57.48 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.25 -38.88 91.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -55.94 -57.09 13.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -51.35 -48.18 62.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.2 m -49.54 -40.2 37.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -65.41 -42.21 92.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.0 mt -55.44 -63.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.71 -44.5 48.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -62.51 -32.49 73.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.11 -52.14 11.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.448 ' HB2' ' CG ' ' A' ' 28' ' ' TYR . 57.7 t80 -62.51 -44.94 95.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -53.53 -49.41 67.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.2 -62.64 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 61' ' ' SER . 14.2 mt -51.67 -60.81 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 60' ' ' LEU . 85.9 p -36.21 -47.48 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.68 119.3 21.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.7 -36.99 72.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 86.2 t -65.87 -58.38 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -59.51 -36.51 76.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.6 ttt-85 -65.46 -53.69 39.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -53.18 -38.24 62.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -75.94 -34.99 59.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.405 ' CE2' ' CE2' ' A' ' 10' ' ' TYR . 3.2 t80 -68.19 -39.8 82.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -74.31 -46.94 37.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.12 -52.77 19.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -76.03 -27.25 57.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.98 -74.38 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.2 t -110.4 142.75 41.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.392 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.56 147.73 20.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -6.42 18.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.361 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.8 t -63.03 142.41 58.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.4 t -63.9 -52.72 58.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.452 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 m -87.72 158.75 18.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 m -103.18 -44.42 5.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.04 50.93 0.87 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 m -133.07 155.63 48.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 0.0 110.879 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 p -154.28 153.64 32.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.63 -34.37 0.63 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -66.48 97.52 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.833 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.408 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 19.9 m-85 -48.73 -40.48 28.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.979 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -55.0 -36.34 65.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -76.2 -44.36 38.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.403 HD13 ' NE2' ' A' ' 52' ' ' GLN . 91.9 mt -55.72 -42.03 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.6 mt -86.28 -19.17 30.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.64 32.07 38.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.492 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.2 m -113.88 152.2 45.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.627 0.727 . . . . 0.0 111.103 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 152.57 69.38 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.712 2.274 . . . . 0.0 112.363 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.3 mtt-85 -59.8 -20.81 59.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -106.72 34.38 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.9 170.36 16.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' GLU . 46.8 t -119.04 148.9 42.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' SER . 12.8 mm100 -35.09 -43.85 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -59.45 -45.57 91.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' SER . 20.3 mt-10 -57.91 -51.64 68.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 3.6 mp -52.21 -36.22 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -66.38 -66.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -45.14 -50.54 11.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.3 -47.05 74.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.477 ' CB ' ' O ' ' A' ' 24' ' ' ILE . 7.3 t80 -52.08 -62.17 1.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -50.85 -51.85 47.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -43.51 -51.86 6.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.9 mt -70.45 -55.42 9.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.67 -32.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -82.33 -35.43 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -68.9 -32.93 72.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -113.08 37.38 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 8.8 t-80 -67.53 140.53 94.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.562 0.696 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.74 -9.15 25.42 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -71.52 -52.85 16.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.0 t -86.66 -5.88 59.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.442 ' OD1' ' CG ' ' A' ' 43' ' ' ASP . 3.8 m-80 -112.67 50.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -55.08 -64.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 43' ' ' ASP . 14.7 t70 -69.72 -46.73 65.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' ASP . 2.9 m-20 -32.96 96.29 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.44 ' N ' ' O ' ' A' ' 42' ' ' ASP . 53.7 Cg_endo -69.78 -35.38 12.69 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -68.07 -39.93 82.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.77 -41.08 14.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.097 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -53.47 -35.86 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -82.88 -38.56 22.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -61.01 -48.61 81.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -57.16 -48.04 79.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.1 m -54.05 -37.64 64.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.403 ' NE2' HD13 ' A' ' 12' ' ' ILE . 12.0 mm100 -68.22 -42.29 80.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.72 -68.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.19 -39.39 4.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -67.47 -44.04 79.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.408 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -60.05 -46.96 87.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.47 ' CE2' ' HB3' ' A' ' 61' ' ' SER . 26.1 t80 -67.61 -59.11 3.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.973 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -37.47 -37.15 0.19 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.0 t -77.13 -63.17 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 mt -54.71 -61.51 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.47 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 46.5 p -39.7 -32.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -90.4 108.16 19.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -46.95 -36.2 7.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.1 t -68.46 -68.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -45.08 -51.07 10.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.2 ttt-85 -50.68 -58.23 6.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -40.7 -49.56 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -65.77 -36.78 84.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -63.28 -39.08 93.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -73.89 -41.98 61.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.5 -53.06 32.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -79.76 -28.27 40.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.36 -74.63 0.32 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.5 t -112.49 150.42 31.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.903 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 144.95 70.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 153.34 68.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.238 . . . . 0.0 112.323 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.4 m -99.98 154.97 17.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 p -117.92 46.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 m 50.37 42.32 25.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -104.73 91.59 3.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.864 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.98 157.71 30.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 t -141.43 127.21 19.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.888 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -79.96 156.74 27.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.04 -44.78 2.32 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.82 124.03 29.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -70.15 -39.59 75.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -50.77 -36.33 36.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -78.49 -47.0 18.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.5 mt -54.63 -35.46 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.434 HD12 ' CD1' ' A' ' 60' ' ' LEU . 29.4 mt -92.23 -32.95 14.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.19 33.96 7.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 m -117.65 147.57 41.21 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.641 0.734 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 146.9 61.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.716 2.277 . . . . 0.0 112.314 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.94 -32.48 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -106.45 42.51 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.68 152.6 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 m -82.19 146.36 29.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -41.68 -50.02 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 23' ' ' GLU . 16.0 ptmt -52.04 -50.05 62.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 10.3 tt0 -55.09 -43.0 73.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.9 mt -58.52 -47.25 88.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -65.76 -55.87 14.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -50.55 -39.39 49.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.97 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.502 ' CD2' ' CG ' ' A' ' 57' ' ' TYR . 11.1 t80 -45.91 -54.42 8.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -61.44 -52.21 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -47.36 -53.67 13.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.54 -50.05 71.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.98 -50.79 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -61.49 -35.22 77.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.467 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 4.8 tmtm? -68.48 -41.75 79.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.467 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 87.1 m-85 -106.84 47.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.517 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.3 t-80 -75.83 140.68 71.04 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.1 Cg_endo -69.78 -43.31 2.72 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.08 -43.14 60.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 p -81.96 -57.55 3.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -73.39 74.86 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -72.61 -69.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -59.95 -50.83 72.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -33.4 96.59 0.1 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 0.0 110.872 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 42' ' ' ASP . 54.6 Cg_endo -69.69 -25.73 28.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.701 2.268 . . . . 0.0 112.362 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -75.5 -41.49 55.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -44.4 -54.74 5.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -42.09 -35.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -85.71 -30.24 23.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 46' ' ' ALA . 39.8 mmtt -67.6 -44.42 78.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -63.24 -52.99 59.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -48.38 -43.23 33.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -68.11 -45.24 74.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.5 mt -50.99 -59.32 4.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.08 -57.77 5.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -53.3 -45.47 68.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.5 -47.4 79.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.502 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 47.4 t80 -66.97 -43.96 81.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -60.04 -39.18 85.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.3 t -72.96 -60.7 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.434 ' CD1' HD12 ' A' ' 13' ' ' LEU . 69.7 mt -53.59 -48.86 68.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p -49.07 -51.08 33.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -69.43 126.65 30.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -61.12 -29.75 69.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.3 t -74.67 -63.19 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -49.69 -38.23 32.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -66.57 -48.25 70.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -54.24 -48.47 71.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -67.84 -43.78 78.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.75 -35.85 79.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -68.54 -39.48 81.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.07 -48.38 80.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -78.01 -18.14 56.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -125.12 87.11 0.36 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -135.56 163.61 29.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.49 179.98 31.93 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 148.11 64.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.743 2.296 . . . . 0.0 112.303 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -74.15 132.37 42.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.5 p -120.83 169.04 10.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p -91.2 177.73 6.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.891 0.377 . . . . 0.0 110.831 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -101.65 103.88 14.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.59 -148.72 7.22 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -108.79 108.08 18.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -147.65 127.96 13.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.49 86.23 0.2 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.525 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -97.44 105.26 17.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -54.88 -39.17 68.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.487 ' CE1' HD23 ' A' ' 60' ' ' LEU . 56.1 m-85 -56.05 -30.69 62.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -81.18 -41.56 22.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.74 -40.03 81.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.439 ' CD1' HD12 ' A' ' 60' ' ' LEU . 25.5 mt -84.8 -42.51 15.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.64 42.63 2.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.71 151.08 78.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.58 0.705 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.54 51.03 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.312 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -47.6 -32.24 5.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -99.5 37.43 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.49 156.11 33.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 21' ' ' GLN . 5.7 t -95.4 141.98 28.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' SER . 27.2 mm-40 -35.7 -45.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -53.38 -51.85 61.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -60.01 -45.13 93.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 87.5 mt -57.02 -45.47 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -61.66 -61.84 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.05 -55.31 10.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.57 -51.87 57.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.11 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -46.17 -54.55 8.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -63.86 -49.5 72.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -46.49 -48.35 19.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.33 -50.82 23.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.82 -62.05 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -50.04 -42.06 48.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -61.04 -39.6 90.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -109.01 42.02 1.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 20.4 t-80 -75.35 139.88 72.11 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.556 0.693 . . . . 0.0 110.871 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.9 Cg_endo -69.76 2.75 3.25 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.695 2.264 . . . . 0.0 112.33 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -82.77 -57.6 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.0 t -86.02 -6.54 59.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -116.2 52.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -59.98 -64.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 43' ' ' ASP . 12.0 p-10 -60.18 -51.82 67.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 42' ' ' ASP . 26.0 t0 -33.27 96.48 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 42' ' ' ASP . 53.6 Cg_endo -69.84 -27.78 25.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.658 2.238 . . . . 0.0 112.352 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' ALA . 26.9 mtmt -74.53 -44.75 49.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' LYS . . . -38.13 -48.44 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -41.44 -58.31 1.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.81 -46.07 90.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -51.31 -58.0 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -54.31 -48.25 71.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.5 t -52.74 -49.02 66.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -63.37 -36.21 82.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.86 -60.2 4.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.9 -54.82 20.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -54.36 -37.94 65.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.44 -51.66 64.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -61.26 -44.82 96.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -48.98 -42.09 36.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.91 -62.2 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.487 HD23 ' CE1' ' A' ' 10' ' ' TYR . 60.2 mt -52.76 -61.64 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 60' ' ' LEU . 58.6 p -37.77 -48.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -76.16 137.75 40.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 64' ' ' VAL . 12.4 pt-20 -72.63 -44.2 62.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.411 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 54.5 t -60.6 -48.57 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -64.43 -49.02 73.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -55.66 -55.77 28.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -50.91 -43.56 59.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -67.17 -42.98 83.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.459 ' CE2' ' CE2' ' A' ' 10' ' ' TYR . 2.2 t80 -70.87 -21.77 62.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -84.57 -18.18 36.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.83 -48.91 13.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -82.54 -19.09 39.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.87 -69.08 1.46 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 91.6 p -129.18 144.02 51.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.952 0.406 . . . . 0.0 110.797 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -113.08 172.64 14.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 140.93 43.83 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.38 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 m -124.28 80.61 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.0 t -91.18 95.9 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -56.05 168.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -152.55 109.94 3.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.15 -50.43 0.4 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.541 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -60.35 141.75 55.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 m -95.87 123.39 39.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.67 57.92 4.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.45 101.14 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -52.64 -35.66 55.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -60.92 -28.24 68.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -82.63 -38.89 22.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.83 -37.06 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.466 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 25.5 mt -90.7 -19.99 22.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.05 47.99 10.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.95 150.85 76.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 111.154 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 144.02 53.0 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.1 mtt-85 -47.25 -33.62 5.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -94.18 34.37 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.05 128.88 33.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.9 t -71.44 152.53 43.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -44.1 -50.27 8.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 23' ' ' GLU . 6.2 ptmm? -48.4 -43.04 33.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 4.6 tp10 -63.99 -51.81 62.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.3 mt -53.75 -39.78 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -57.3 9.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.14 -55.16 36.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.05 -53.5 33.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -51.64 -68.2 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -44.22 -39.97 4.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -60.0 -63.57 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 77.1 mt -57.26 -53.31 59.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.11 -55.65 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -65.17 -34.24 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HE3' ' CE2' ' A' ' 35' ' ' TYR . 28.6 ttpt -64.58 -25.71 68.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.469 ' CE2' ' HE3' ' A' ' 34' ' ' LYS . 83.3 m-85 -123.82 39.58 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 3.0 t-80 -60.33 140.64 91.58 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.588 0.709 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.75 -34.59 14.3 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.227 . . . . 0.0 112.331 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -54.71 -58.95 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.2 p -66.36 -31.49 72.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.41 ' OD1' ' CG ' ' A' ' 43' ' ' ASP . 23.5 m-80 -98.46 88.36 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -69.41 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 43' ' ' ASP . 1.3 m-20 -70.45 -45.02 66.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 42' ' ' ASP . 5.5 m-20 -32.62 95.99 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.577 0.703 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' ASP . 54.2 Cg_endo -69.72 -25.95 28.24 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.707 2.271 . . . . 0.0 112.329 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -76.3 -27.07 56.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.01 -53.53 14.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.046 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.422 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -49.07 -38.32 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -76.11 -36.32 58.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -65.61 -60.88 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.437 ' CD1' ' HD3' ' A' ' 37' ' ' PRO . 38.3 t80 -43.32 -49.53 6.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.5 t -55.94 -41.46 74.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -69.57 -46.99 65.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.6 mt -52.05 -60.81 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.38 -48.6 36.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -56.63 -50.54 71.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.0 -45.79 75.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -64.81 -47.3 78.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.925 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -51.05 -50.33 58.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.837 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.9 -61.62 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.164 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' SER . 41.0 mt -53.01 -63.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 60' ' ' LEU . 24.5 p -36.82 -48.61 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -74.5 114.31 12.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.43 -42.18 70.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.3 -57.28 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -59.77 -40.56 88.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -59.0 -49.74 76.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -54.46 -48.86 71.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -64.48 -47.58 78.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -58.11 -42.95 86.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -68.09 -43.82 77.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.21 -50.86 71.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -77.71 -20.37 53.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.72 -52.49 45.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.4 p -91.33 150.47 21.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.851 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.17 83.33 1.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -24.73 29.51 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.9 t -67.02 94.37 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.3 t -68.45 -43.63 76.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.511 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -129.06 157.1 42.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 110.869 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -90.56 177.2 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.12 -137.84 18.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.8 p 39.87 40.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.867 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 m -96.83 45.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.819 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.24 57.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.429 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -93.49 106.1 18.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -58.26 -45.56 87.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -48.63 -45.1 37.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -70.86 -44.64 65.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -53.39 -37.99 31.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 28' ' ' TYR . 35.7 mt -89.36 -30.77 18.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.6 38.9 5.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.9 m -124.36 151.74 66.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.03 61.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -61.66 -16.21 46.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -109.64 33.68 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.95 170.06 16.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -118.37 168.82 10.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -58.23 -29.09 65.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.37 -52.64 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -59.16 -39.19 81.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.2 mt -66.3 -36.51 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -69.58 -39.96 77.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -75.22 -43.6 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.69 81.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.419 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 16.0 t80 -63.66 -66.75 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -48.12 -35.59 11.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -58.75 -56.6 20.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 31' ' ' LEU . 4.2 mm? -66.56 -43.55 84.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.53 -29.44 50.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -83.83 -33.2 24.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.439 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 9.5 ttmm -69.76 -29.05 66.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.439 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 95.7 m-85 -118.19 38.44 3.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.4 t-80 -71.1 140.62 85.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.9 Cg_endo -69.77 -44.21 2.2 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.298 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -52.92 -20.38 3.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.4 p -112.81 -5.52 13.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -121.59 80.44 1.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -86.58 -53.67 4.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -79.42 7.79 7.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -108.16 87.7 4.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -25.49 28.2 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -72.03 -25.18 61.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.74 -46.9 73.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -40.22 -55.68 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -68.33 -32.78 73.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -61.43 -43.45 98.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -67.26 -44.14 80.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.7 m -50.56 -41.68 54.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -67.65 -50.57 57.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.7 mt -48.14 -62.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.21 -50.37 38.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -57.61 -33.18 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.26 -52.56 39.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -61.72 -44.01 97.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -51.51 -47.88 63.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.7 -55.94 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.2 mt -56.36 -66.68 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.8 p -37.94 -38.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.25 113.31 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -56.18 -33.56 65.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.1 t -74.16 -60.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -50.05 -44.79 51.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.7 ttt-85 -57.04 -55.97 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -43.01 -43.27 4.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -74.52 -34.32 62.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.513 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -68.16 -30.99 70.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -73.48 -31.46 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.39 -40.57 85.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -82.0 -21.64 36.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.56 44.06 2.43 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 86.3 p -134.08 144.65 48.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.934 0.397 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.99 -162.91 0.79 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.464 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 119.59 6.51 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 t -57.86 129.75 43.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.6 p -151.61 158.59 43.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.482 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 m -124.89 86.42 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -79.89 162.06 25.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.04 177.07 20.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.523 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -97.92 42.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 m -101.85 111.99 24.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.4 93.45 0.6 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.521 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -78.28 102.89 7.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.371 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -56.3 -41.96 76.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -49.82 -28.79 6.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -84.06 -41.1 17.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.2 mt -60.49 -36.98 73.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' CD1' ' HB1' ' A' ' 56' ' ' ALA . 36.2 mt -88.8 -35.52 16.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.57 39.85 4.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.496 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 m -123.67 150.03 60.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 0.0 111.153 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 140.99 44.24 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.728 2.285 . . . . 0.0 112.364 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -46.08 -21.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -107.38 37.32 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.07 -177.29 4.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.047 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 21' ' ' GLN . 34.1 t -133.22 153.86 51.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' SER . 2.6 mp0 -37.37 -52.05 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -52.66 -57.21 10.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -55.8 -41.11 73.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.4 mt -63.75 -41.44 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -68.84 -57.9 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -52.16 -40.96 62.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.65 -45.94 67.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.549 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 13.2 t80 -51.83 -49.59 62.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -64.41 -42.45 96.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.973 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -53.15 -47.43 68.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.991 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.36 -54.69 8.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.23 -51.35 3.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -54.3 -41.35 68.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -67.73 -48.25 67.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -94.11 34.72 1.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.1 t-80 -73.2 139.91 79.47 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.822 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.4 Cg_endo -69.78 -28.18 25.46 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.652 2.234 . . . . 0.0 112.335 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -60.48 -51.81 67.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.5 p -78.36 -24.46 46.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -93.02 88.03 5.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -91.57 -54.53 3.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -85.3 24.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -122.64 88.64 49.82 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.656 0.741 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -25.52 28.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.72 2.28 . . . . 0.0 112.349 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 49' ' ' LYS . 13.2 mmmt -67.45 -38.12 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.7 -39.98 8.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -52.04 -35.24 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -80.93 -43.01 20.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -61.45 -57.95 10.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -44.51 -41.46 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 m -58.56 -41.75 86.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -71.02 -34.29 71.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.8 mt -64.16 -50.4 68.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.549 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -62.7 -51.95 65.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -51.62 -43.14 62.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.4 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -57.98 -43.42 86.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.096 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -69.26 -45.45 69.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.56 -50.3 74.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.3 t -59.11 -61.21 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.5 mt -54.1 -63.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.7 p -41.22 -37.06 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -78.96 109.45 13.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -49.85 -36.5 27.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.57 -64.67 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -46.78 -42.15 16.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -56.45 -59.66 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -44.2 -42.18 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -66.1 -40.45 90.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 73' ' ' GLY . 2.6 t80 -65.73 -48.22 72.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -42.45 -45.02 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.54 -40.17 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -89.62 27.27 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 69' ' ' TYR . . . -158.64 78.79 0.18 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.1 t -82.52 164.9 20.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.94 0.4 . . . . 0.0 110.819 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.63 160.66 14.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.21 4.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.266 . . . . 0.0 112.351 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.1 t -42.14 108.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.7 t -127.88 142.22 51.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.784 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.522 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -126.68 166.2 17.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.355 . . . . 0.0 110.854 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -58.11 142.83 45.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.25 172.37 44.39 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -76.85 131.47 38.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 110.845 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' GLY . 4.4 m -85.32 -52.22 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.22 -48.58 0.83 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -53.05 105.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -48.86 -35.23 14.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.493 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 40.1 m-85 -55.89 -33.38 64.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -77.46 -42.24 36.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.0 -36.93 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.454 HD12 ' CD1' ' A' ' 60' ' ' LEU . 39.6 mt -89.79 -40.68 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.02 40.25 3.59 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 m -129.12 151.23 77.34 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.663 0.744 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 19' ' ' ALA . 53.5 Cg_endo -69.8 139.27 39.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.329 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.493 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 73.8 mtp180 -41.97 -34.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -96.19 39.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -75.6 164.42 26.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' GLN . 3.6 m -102.87 143.42 32.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' SER . 51.8 mm-40 -37.92 -39.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -62.5 -56.17 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -59.41 -42.92 92.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.76 -43.53 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -70.81 -52.83 18.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -53.06 -42.47 65.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.94 68.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.096 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.709 ' CD2' ' CG ' ' A' ' 57' ' ' TYR . 11.8 t80 -72.69 -52.17 16.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -61.24 -36.75 80.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -60.41 -50.16 74.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.437 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 12.2 mt -70.86 -44.34 66.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.09 -34.92 68.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -80.49 -35.94 34.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.525 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -69.65 -35.37 75.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.561 ' CD1' ' HE3' ' A' ' 49' ' ' LYS . 60.1 m-85 -114.07 30.96 6.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.515 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 8.7 t-80 -63.89 140.59 97.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.721 . . . . 0.0 110.837 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.73 -21.44 33.61 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 0.0 112.372 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.63 -2.92 25.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.8 p -131.25 -38.92 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.465 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 15.4 m-80 -97.43 65.26 1.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -86.28 -32.38 21.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -77.93 -24.59 48.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -85.38 126.02 68.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -49.66 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 48' ' ' GLU . 9.4 mmmt -47.95 -53.64 15.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 40' ' ' ASN . . . -35.1 -38.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -61.37 -45.88 92.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 45' ' ' LYS . 5.0 tt0 -78.19 -45.03 24.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.561 ' HE3' ' CD1' ' A' ' 35' ' ' TYR . 8.1 mtpp -56.17 -44.88 79.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.459 ' CD1' ' HD3' ' A' ' 37' ' ' PRO . 28.1 t80 -59.64 -47.53 85.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 m -57.88 -48.35 80.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -61.04 -35.51 77.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.8 mt -67.91 -63.05 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -51.78 -44.47 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.39 -44.04 88.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.6 -40.89 96.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.709 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 61.6 t80 -71.82 -58.68 3.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -38.91 -29.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 57' ' ' TYR . 54.4 t -84.71 -63.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.454 ' CD1' HD12 ' A' ' 13' ' ' LEU . 32.2 mt -53.72 -53.01 58.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.4 p -42.44 -40.69 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -86.24 122.01 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.28 -38.58 71.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 t -68.57 -68.86 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -46.47 -32.95 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -66.57 -57.88 6.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -46.16 -42.43 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -69.06 -42.23 76.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -54.46 -41.44 69.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -75.37 -47.22 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.5 -60.6 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -68.86 -28.18 66.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.19 -171.24 0.38 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.6 p -108.19 165.58 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.878 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.72 169.83 41.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 91.97 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.706 2.27 . . . . 0.0 112.366 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -70.55 86.65 0.64 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t -76.98 125.2 28.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m -99.01 173.9 6.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.92 0.39 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -113.1 158.4 20.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.39 151.03 7.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t 39.4 37.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 m -99.85 94.07 6.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.47 44.92 1.35 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -71.65 97.2 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -49.06 -38.79 25.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.556 ' CE1' HD21 ' A' ' 60' ' ' LEU . 60.4 m-85 -55.49 -36.18 66.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -74.04 -40.1 63.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.2 mt -59.33 -33.48 51.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.465 HD12 ' CD1' ' A' ' 60' ' ' LEU . 67.3 mt -92.14 -28.28 17.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.85 36.3 7.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.8 m -121.24 147.03 46.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.656 0.741 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 146.23 59.48 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.254 . . . . 0.0 112.346 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.0 -25.26 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -104.96 36.27 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.53 159.93 24.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 m -94.84 151.07 19.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -42.59 -54.28 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -47.72 -48.94 29.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -57.62 -36.56 71.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.6 mt -66.22 -43.65 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -70.65 -41.43 72.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.22 -50.62 69.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.05 -50.93 72.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.465 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 21.7 t80 -47.25 -68.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -50.54 -46.72 57.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -53.44 -34.65 58.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.433 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 20.9 mt -88.23 -26.98 22.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.51 -63.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -53.26 -39.07 63.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.484 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 31.8 tttm -58.85 -35.38 72.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.484 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 53.6 m-85 -116.83 39.36 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.9 t-80 -64.75 140.63 98.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.56 0.695 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.4 Cg_endo -69.75 -22.95 31.43 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.382 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -57.4 -47.85 80.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 40' ' ' ASN . 9.7 t -90.96 -19.38 23.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.4 ' N ' HG23 ' A' ' 39' ' ' THR . 29.0 m-80 -104.36 68.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 41' ' ' LYS . 3.1 mmmp? -69.67 -70.05 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' A' ' 43' ' ' ASP . 43.3 m-20 -69.72 -44.52 70.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.828 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 42' ' ' ASP . 12.1 t0 -32.66 96.1 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.56 0.695 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' ASP . 53.2 Cg_endo -69.79 -25.67 28.21 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp -77.87 -22.86 49.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.442 ' N ' ' OD1' ' A' ' 43' ' ' ASP . . . -76.14 -55.52 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 48' ' ' GLU . 19.1 pttm -45.74 -40.96 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.461 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 2.5 tt0 -73.25 -38.38 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -61.78 -53.58 54.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -53.81 -50.36 66.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.8 m -54.55 -27.17 36.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -80.55 -52.84 7.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.9 mt -46.7 -62.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.465 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -45.64 -61.99 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -45.15 -51.66 10.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.85 -57.14 12.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -53.16 -46.42 68.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -48.95 -52.23 25.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.9 t -62.51 -62.91 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.176 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.556 HD21 ' CE1' ' A' ' 10' ' ' TYR . 40.3 mt -52.16 -65.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' LEU . 46.4 p -35.68 -53.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.454 ' CB ' ' HD2' ' A' ' 65' ' ' LYS . 9.2 t0 -72.21 108.18 5.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 64' ' ' VAL . 8.0 pt-20 -45.13 -41.12 7.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.46 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 92.8 t -62.23 -65.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.454 ' HD2' ' CB ' ' A' ' 62' ' ' ASP . 31.0 mttm -50.64 -39.65 51.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -58.85 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -43.96 -44.99 7.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -61.71 -32.89 73.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -80.8 -27.57 36.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.01 -24.97 52.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.822 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.54 -53.91 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -77.71 -26.52 50.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.8 149.98 48.68 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.0 t -99.41 138.4 36.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.972 0.415 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.37 80.17 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 159.48 53.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 0.0 112.395 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.8 p -102.25 -179.01 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 m -72.6 149.45 43.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.816 0.341 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -49.62 -43.68 46.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -49.85 -34.75 20.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -79.42 -44.24 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.21 -43.35 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 28' ' ' TYR . 32.2 mt -80.83 -39.27 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.3 36.85 3.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.466 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.1 m -123.62 154.46 66.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 154.23 67.84 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.31 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -54.88 -23.88 20.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -111.15 40.85 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.95 173.05 3.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.4 p -115.92 145.89 42.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -38.84 -44.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -61.89 -50.42 72.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -45.04 88.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.519 HD13 ' HB3' ' A' ' 60' ' ' LEU . 96.5 mt -57.52 -46.68 86.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -64.96 -57.66 8.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -52.37 -50.2 62.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.874 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.34 -56.38 21.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.413 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 18.5 t80 -40.88 -56.76 2.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -61.1 -46.84 88.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -51.14 -51.32 54.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.17 -50.86 59.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -46.16 -53.89 9.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -59.31 -35.14 73.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.402 ' C ' ' HD3' ' A' ' 34' ' ' LYS . 7.8 tmtm? -69.63 -40.76 76.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -102.97 38.44 1.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.552 0.691 . . . . 0.0 110.893 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.864 0.364 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -38.56 -35.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -79.16 -38.81 35.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 46' ' ' ALA . 24.8 mttt -61.36 -49.91 75.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.422 ' HA ' HD12 ' A' ' 53' ' ' LEU . 34.3 t80 -52.76 -49.08 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.0 m -51.34 -43.47 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -59.62 -40.35 87.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 50' ' ' PHE . 70.8 mt -57.74 -66.16 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -41.23 -52.52 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -57.54 -44.58 85.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.8 -54.38 47.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.504 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 64.5 t80 -58.0 -57.1 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 57' ' ' TYR . 29.0 tt0 -35.75 -50.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.632 HG13 ' HB3' ' A' ' 65' ' ' LYS . 54.3 t -66.83 -60.93 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.519 ' HB3' HD13 ' A' ' 24' ' ' ILE . 73.2 mt -50.8 -66.59 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.504 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 92.1 p -38.92 -28.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.7 t70 -92.26 119.69 32.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -59.44 -38.92 81.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.36 -56.11 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.632 ' HB3' HG13 ' A' ' 59' ' ' VAL . 62.1 mttt -62.16 -41.92 98.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -60.48 -47.5 85.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -57.59 -52.67 64.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -62.33 -42.85 99.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.961 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.23 -32.41 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.0 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.834 0.349 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.513 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 24.8 m-85 -59.14 -44.32 92.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -53.77 -24.09 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -89.22 -38.88 13.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.52 -33.8 63.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.542 HD12 HD12 ' A' ' 60' ' ' LEU . 32.4 mt -92.81 -29.47 15.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.93 40.2 6.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.438 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -123.93 153.84 67.54 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.711 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.488 ' HG2' ' HB2' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.68 156.81 62.58 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.4 mtt85 -63.44 -11.46 23.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -128.18 38.69 3.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.488 ' HB2' ' HG2' ' A' ' 16' ' ' PRO . . . -72.6 176.81 5.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 t -103.05 152.45 21.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -51.04 -25.14 4.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.55 -47.95 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -18.51 35.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.458 HD13 ' HB3' ' A' ' 60' ' ' LEU . 70.0 mt -83.36 -39.57 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -68.51 -49.15 61.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -59.32 -51.42 70.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.9 -49.89 72.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -52.85 -50.88 62.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -63.02 -41.19 99.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -55.62 -45.28 77.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 10.9 mt -76.71 -44.13 34.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.67 -66.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -47.85 -37.52 14.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -66.26 -39.5 89.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -109.22 39.79 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.54 0.686 . . . . 0.0 110.896 179.911 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.84 0.353 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.56 -57.49 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.33 -35.41 73.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -64.29 -44.32 92.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -58.9 -49.68 76.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.4 t -49.86 -41.33 45.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -63.44 -43.84 96.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.67 -59.59 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.26 -44.8 72.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.8 -48.42 81.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.513 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -63.36 -46.33 87.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -60.14 -44.09 95.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -54.33 -43.03 70.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.21 -62.11 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.542 HD12 HD12 ' A' ' 13' ' ' LEU . 55.1 mt -55.63 -62.52 1.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.6 p -38.25 -48.26 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -74.51 120.36 19.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -59.27 -33.38 70.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 88.3 t -71.49 -61.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -50.97 -46.84 61.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -49.82 -61.84 1.9 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -41.15 -47.46 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -64.32 -38.98 92.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -63.43 -52.08 63.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.889 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -48.28 -43.3 32.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -52.66 -34.59 52.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -79.29 -43.57 23.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.0 mt -55.83 -32.7 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 28' ' ' TYR . 28.8 mt -92.94 -28.68 16.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.03 26.56 15.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.4 m -112.88 149.39 41.18 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.605 0.717 . . . . 0.0 111.138 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 156.68 62.64 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.746 2.297 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -58.79 -26.51 64.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -104.14 43.28 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.84 158.53 16.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m -103.22 159.86 15.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.55 ' HA ' HD12 ' A' ' 24' ' ' ILE . 2.3 mp0 -42.4 -49.04 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -50.38 -56.8 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -51.98 -47.44 64.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 21' ' ' GLN . 22.4 mt -57.32 -46.55 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -58.53 -64.54 0.89 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -46.5 -49.51 18.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.28 80.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.419 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 15.3 t80 -62.9 -58.74 6.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -59.95 -34.02 72.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -62.15 -59.17 5.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 34' ' ' LYS . 3.4 mm? -57.04 -58.13 9.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.78 -61.62 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -45.55 -30.04 1.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' LEU . 41.7 tttm -75.49 -48.26 23.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -101.86 43.67 1.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 110.848 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.86 0.362 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -33.51 4.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -81.46 -33.95 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -66.87 -43.44 83.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -57.17 -52.0 67.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 p -43.65 -46.27 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -61.16 -35.83 78.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.45 -68.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.18 -41.1 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -67.62 -39.87 84.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.419 ' O ' HD12 ' A' ' 60' ' ' LEU . . . -62.72 -37.44 86.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -75.22 -45.81 37.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -51.66 -56.55 13.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 37.1 t -60.76 -61.32 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 56' ' ' ALA . 60.5 mt -50.51 -68.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' LEU . 51.1 m -37.14 -42.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.88 102.92 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -44.14 -40.48 5.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.9 -62.12 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -53.89 -35.94 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -65.55 -48.15 73.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -54.36 -49.29 70.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -69.91 -40.99 75.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -60.55 -37.63 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.0 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.883 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.807 0.337 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.414 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 22.0 m-85 -49.78 -50.96 42.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -44.75 -42.01 7.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -68.21 -39.32 82.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.07 -43.66 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.59 ' O ' HD11 ' A' ' 31' ' ' LEU . 29.6 mt -83.96 -28.43 27.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.28 32.12 17.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.6 m -116.74 148.97 43.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 142.68 48.7 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.26 . . . . 0.0 112.382 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -44.88 -37.21 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -98.64 42.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.91 129.46 34.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLU . 28.2 m -59.36 139.35 57.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -38.46 -38.48 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.96 -44.77 95.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' SER . 5.9 tp10 -60.34 -41.38 93.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.447 HD13 ' HB3' ' A' ' 60' ' ' LEU . 93.3 mt -62.94 -41.46 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.5 ttpt -69.84 -62.95 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -47.6 -41.58 22.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.47 -47.73 69.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -54.33 -48.35 71.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -64.4 -34.37 78.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.939 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -64.22 -54.96 25.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.59 HD11 ' O ' ' A' ' 13' ' ' LEU . 21.8 mt -62.31 -50.25 72.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.0 -55.96 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -57.63 -34.75 69.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.97 -31.55 66.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -111.27 36.57 3.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.572 0.701 . . . . 0.0 110.838 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.882 0.372 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -37.57 -48.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.79 -37.49 84.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -63.7 -51.78 63.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -52.87 -51.09 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.5 t -53.92 -39.84 66.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -65.85 -33.21 75.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.8 mt -68.42 -55.23 12.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.32 -52.93 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -58.04 -40.51 81.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.414 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -64.01 -38.99 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 40.5 t80 -74.72 -58.24 3.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' TYR . 24.6 tt0 -37.36 -38.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.3 t -73.62 -60.24 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.447 ' HB3' HD13 ' A' ' 24' ' ' ILE . 50.3 mt -56.44 -58.6 7.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.58 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 95.3 p -40.11 -43.38 1.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -73.49 161.75 30.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.68 -36.17 10.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.8 t -74.46 -44.28 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -67.12 -38.59 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -68.16 -49.37 61.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -56.68 -45.88 81.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -68.81 -41.22 78.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.96 -35.82 81.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.914 179.925 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.765 0.317 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.408 ' CE2' HG11 ' A' ' 59' ' ' VAL . 23.3 m-85 -49.27 -20.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -71.85 -35.19 69.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.413 ' CG ' ' N ' ' A' ' 12' ' ' ILE . 1.5 pt20 -73.36 -42.8 61.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.503 HG23 ' NE2' ' A' ' 52' ' ' GLN . 87.3 mt -55.5 -40.32 58.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.2 mt -89.24 -34.08 16.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.12 46.59 4.4 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.449 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 m -132.54 150.46 75.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.732 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 19' ' ' ALA . 54.5 Cg_endo -69.72 140.18 42.19 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.381 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 mtm-85 -41.84 -32.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -98.64 39.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -84.07 128.86 34.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 t -62.59 150.42 40.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -47.9 -37.42 14.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -60.93 -46.4 90.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -59.16 -41.07 87.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.554 HG22 ' HD1' ' A' ' 57' ' ' TYR . 56.1 mt -67.53 -39.4 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -66.97 -43.36 83.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -71.28 -50.16 35.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.06 -49.45 71.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 54' ' ' ALA . 8.8 t80 -55.16 -68.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -50.69 -42.17 56.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.951 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -58.75 -38.52 78.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 mt -75.41 -57.44 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.44 ' HB1' ' CE2' ' A' ' 50' ' ' PHE . . . -46.63 -54.74 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -51.82 -36.15 46.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -72.26 -43.94 63.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.901 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -98.16 37.77 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.831 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.896 0.379 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -44.78 -57.25 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.12 -40.07 76.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -64.55 -24.0 67.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.44 ' CE2' ' HB1' ' A' ' 32' ' ' ALA . 29.3 t80 -83.94 -37.87 21.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.6 m -69.69 -25.51 63.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.503 ' NE2' HG23 ' A' ' 12' ' ' ILE . 11.9 pt20 -82.93 -39.63 21.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.472 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 38.3 mt -55.98 -56.94 14.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 28' ' ' TYR . . . -48.17 -60.3 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -44.24 -47.88 9.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.19 -60.73 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.554 ' HD1' HG22 ' A' ' 24' ' ' ILE . 77.1 t80 -51.04 -45.65 61.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -55.87 -48.58 75.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.408 HG11 ' CE2' ' A' ' 9' ' ' TYR . 24.6 t -63.91 -57.24 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 61' ' ' SER . 63.2 mt -59.48 -62.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' LEU . 98.5 p -35.45 -52.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -68.23 137.95 55.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.71 -30.16 59.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.2 -57.86 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -57.61 -44.38 85.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -59.72 -56.17 25.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -52.42 -45.07 65.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -67.97 -36.87 80.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -65.64 -48.59 71.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.775 0.321 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.535 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 26.6 m-85 -50.42 -52.89 33.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.514 ' CE2' ' CE2' ' A' ' 69' ' ' TYR . 57.6 m-85 -43.32 -33.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.909 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -81.14 -38.55 26.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.5 mt -64.37 -46.01 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.717 HD12 HD12 ' A' ' 60' ' ' LEU . 27.1 mt -79.94 -31.72 40.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.68 36.71 7.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -119.47 154.91 54.5 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.599 0.714 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 148.15 64.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -52.24 -21.12 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -117.33 41.87 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.54 177.86 6.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.4 m -119.8 149.08 42.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -39.54 -35.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -64.68 -50.21 67.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.84 -42.36 97.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.767 HD11 ' NH2' ' A' ' 66' ' ' ARG . 42.9 mt -63.06 -40.91 90.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -67.88 -51.66 45.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -58.03 -58.11 9.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.54 -48.82 57.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.485 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 36.0 t80 -52.41 -57.76 8.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -57.88 -37.99 74.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -60.6 -39.51 88.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.601 HD13 HD21 ' A' ' 53' ' ' LEU . 54.8 mt -78.81 -54.48 6.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.652 ' HB1' ' HE1' ' A' ' 50' ' ' PHE . . . -45.62 -65.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.072 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -43.98 -41.13 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 9.3 ttmm -66.63 -39.59 88.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.451 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 59.9 m-85 -108.45 37.9 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.551 0.691 . . . . 0.0 110.843 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.843 0.354 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.74 -52.71 2.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -61.91 -43.09 99.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -56.58 -62.0 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.652 ' HE1' ' HB1' ' A' ' 32' ' ' ALA . 15.8 t80 -47.76 -51.14 23.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -46.21 -41.34 12.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -71.95 -44.45 63.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.601 HD21 HD13 ' A' ' 31' ' ' LEU . 71.1 mt -54.29 -60.82 2.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.485 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -47.64 -56.75 6.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -53.6 -41.31 66.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.535 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -61.41 -38.55 87.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -75.07 -46.19 36.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -53.96 -48.96 69.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.68 -57.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.717 HD12 HD12 ' A' ' 13' ' ' LEU . 81.9 mt -56.59 -67.37 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 60' ' ' LEU . 60.1 p -36.76 -51.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -68.46 111.87 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -49.4 -41.32 39.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.8 t -65.29 -67.64 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -47.19 -37.75 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.767 ' NH2' HD11 ' A' ' 24' ' ' ILE . 27.4 ttt180 -62.47 -54.37 41.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -49.84 -43.4 48.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -66.82 -44.04 82.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.514 ' CE2' ' CE2' ' A' ' 10' ' ' TYR . 1.3 t80 -61.02 -43.24 99.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.0 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.78 0.324 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.839 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 20.9 m-85 -49.02 -41.65 35.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -53.82 -28.57 36.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -81.66 -40.97 22.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.591 HG22 HD23 ' A' ' 53' ' ' LEU . 93.4 mt -59.47 -38.84 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.828 ' O ' HD11 ' A' ' 31' ' ' LEU . 38.4 mt -87.69 -36.97 17.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.37 44.95 3.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.88 151.47 78.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.62 0.724 . . . . 0.0 111.099 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 140.2 42.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.238 . . . . 0.0 112.317 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -46.16 -30.07 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -99.6 36.35 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.8 159.01 30.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' LYS . 18.9 t -95.62 141.08 29.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' SER . 4.0 tp-100 -37.29 -30.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' SER . 72.5 mttt -68.05 -58.56 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -50.76 -46.57 59.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.7 mt -53.71 -53.96 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 tttp -55.74 -66.81 0.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -43.31 -48.87 6.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.67 -52.07 66.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.078 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 19.5 t80 -49.56 -60.89 2.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -56.02 -53.69 53.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -47.59 -54.86 10.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.828 HD11 ' O ' ' A' ' 13' ' ' LEU . 23.6 mt -61.73 -57.62 11.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' LEU . . . -37.46 -58.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -55.82 -35.4 66.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.522 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 4.4 tmtm? -67.98 -47.45 68.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.522 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 88.4 m-85 -96.75 44.08 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.57 0.7 . . . . 0.0 110.894 179.924 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.828 0.347 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.66 -56.94 2.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -66.65 -33.67 76.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -59.86 -49.33 78.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -58.82 -52.36 66.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -50.06 -36.54 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -67.09 -44.51 79.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.591 HD23 HG22 ' A' ' 12' ' ' ILE . 80.5 mt -53.07 -59.12 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.561 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -55.57 -43.02 75.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -57.22 -47.71 80.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.839 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -65.12 -45.14 86.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.083 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -57.75 -46.84 83.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -51.86 -48.72 63.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.449 HG13 ' HB3' ' A' ' 65' ' ' LYS . 75.5 t -64.7 -57.58 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.418 ' CD1' HD12 ' A' ' 13' ' ' LEU . 25.9 mt -55.44 -63.78 1.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 81.2 p -40.89 -34.15 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.94 117.81 25.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -56.2 -42.97 78.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.64 -62.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.449 ' HB3' HG13 ' A' ' 59' ' ' VAL . 50.0 mttm -55.3 -42.18 73.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -60.61 -54.69 42.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -49.99 -43.38 50.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -68.32 -42.52 79.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.449 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -64.32 -36.27 83.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 t0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.836 0.35 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.508 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 22.8 m-85 -53.14 -40.32 64.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -53.24 -42.78 66.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -68.25 -45.06 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.531 HG22 HD23 ' A' ' 53' ' ' LEU . 88.5 mt -51.62 -39.94 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.681 ' HA ' HD22 ' A' ' 31' ' ' LEU . 27.9 mt -89.29 -30.3 18.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.74 37.99 5.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 m -119.48 151.05 50.99 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.654 0.74 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 142.35 48.07 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.74 2.293 . . . . 0.0 112.37 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.8 mtt-85 -46.52 -24.54 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -107.4 37.17 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.76 151.27 30.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 t -89.78 149.92 22.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.578 ' HA ' HD12 ' A' ' 24' ' ' ILE . 9.4 mm100 -43.31 -47.74 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -53.5 -47.46 69.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.68 -35.55 76.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 21' ' ' GLN . 17.4 mt -64.06 -51.34 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.181 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -55.77 -55.58 30.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -54.36 -53.99 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.97 -35.7 67.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.513 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 16.6 t80 -63.12 -53.52 52.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -64.69 -27.92 69.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -68.68 -57.45 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 13' ' ' LEU . 8.0 mp -68.33 -47.63 66.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -39.96 -34.85 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -88.5 -32.87 18.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 6.7 tmtm? -65.14 -37.11 86.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 72.2 m-85 -101.93 24.22 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 121.567 0.699 . . . . 0.0 110.865 179.937 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.828 0.347 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -47.76 -59.52 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -36.25 76.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -61.13 -43.77 98.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.488 ' HA ' HD12 ' A' ' 53' ' ' LEU . 31.7 t80 -61.66 -51.66 67.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.9 p -52.51 -34.29 49.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -71.08 -39.85 71.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.531 HD23 HG22 ' A' ' 12' ' ' ILE . 55.1 mt -55.53 -63.05 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.513 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -45.09 -48.89 11.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -58.94 -51.06 71.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -54.18 -43.66 70.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -66.09 -45.41 81.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -52.91 -42.58 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.2 t -75.63 -62.04 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.495 ' CD1' HD12 ' A' ' 13' ' ' LEU . 92.7 mt -44.44 -50.47 9.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.51 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 83.9 p -53.69 -41.03 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -87.66 94.2 9.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -41.81 -37.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.9 t -62.41 -51.84 67.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -64.03 -36.46 84.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.5 ttp-105 -63.03 -48.8 77.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -45.26 -49.11 12.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.6 -36.26 83.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -63.14 -43.26 98.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.866 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.0 t0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.482 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 25.8 m-85 -47.59 -47.65 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.861 ' CE1' HD22 ' A' ' 60' ' ' LEU . 31.2 m-85 -47.85 -33.83 7.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -78.4 -43.47 27.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.6 mt -56.58 -40.08 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.538 ' CD1' HD12 ' A' ' 60' ' ' LEU . 27.9 mt -83.46 -36.81 23.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.14 38.26 3.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.457 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 m -124.22 152.13 67.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 111.134 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 143.27 50.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -42.71 -36.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -101.64 44.98 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.63 145.53 31.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -84.65 152.07 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -39.83 -46.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -56.28 -48.62 76.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.61 -44.21 96.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.5 mt -61.87 -44.5 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -66.73 -46.41 75.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -62.17 -54.7 37.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.445 ' O ' HD23 ' A' ' 31' ' ' LEU . . . -49.03 -45.07 42.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.437 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 38.6 t80 -57.4 -54.83 42.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -57.34 -37.41 72.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -65.34 -54.55 27.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 27' ' ' ALA . 1.6 mm? -60.5 -47.04 87.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -49.26 -60.5 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -51.28 -37.39 47.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -66.67 -46.38 75.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -103.67 47.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.862 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.886 0.374 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -43.32 -32.96 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -83.82 -37.94 21.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -61.01 -43.94 98.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -61.46 -47.68 84.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 t -48.33 -42.97 32.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -65.98 -45.86 80.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.0 mt -51.64 -60.02 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -47.81 -55.56 9.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -51.81 -55.68 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -50.21 -42.59 51.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -67.78 -45.37 75.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -60.13 -38.83 84.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.607 HG13 ' HB3' ' A' ' 65' ' ' LYS . 72.8 t -75.0 -58.85 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.861 HD22 ' CE1' ' A' ' 10' ' ' TYR . 86.1 mt -54.09 -51.39 64.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 p -52.09 -46.92 65.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -71.48 115.69 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.34 -39.36 31.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.8 t -67.27 -70.04 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.607 ' HB3' HG13 ' A' ' 59' ' ' VAL . 45.9 mttp -44.19 -51.44 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -49.7 -60.57 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -47.74 -50.93 23.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -56.31 -23.0 34.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -93.71 -26.47 17.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.451 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -58.82 -43.09 90.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -53.96 -36.78 63.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -69.99 -41.09 74.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.56 -40.35 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' ' 60' ' ' LEU . 32.3 mt -79.82 -35.39 38.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.84 40.06 3.68 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 m -126.75 149.91 69.83 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.652 0.739 . . . . 0.0 111.113 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.78 143.59 51.23 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.731 2.287 . . . . 0.0 112.364 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -41.6 -36.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -97.18 40.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -70.19 175.13 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' GLN . 33.6 t -117.95 145.07 44.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.559 ' HA ' HD12 ' A' ' 24' ' ' ILE . 2.0 tp-100 -35.22 -48.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -58.19 -59.37 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -46.85 -40.42 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 21' ' ' GLN . 49.7 mt -60.72 -51.83 68.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -57.63 11.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.34 -51.46 14.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.36 -53.96 52.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.514 ' CD1' ' HB2' ' A' ' 57' ' ' TYR . 49.7 t80 -47.49 -45.72 26.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -65.21 -41.16 94.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.925 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -58.17 -55.23 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.6 mt -69.67 -53.07 20.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -42.47 -40.9 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -72.2 -38.77 68.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 35' ' ' TYR . 22.1 ttmt -62.46 -42.94 99.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.589 ' CD1' ' HD3' ' A' ' 49' ' ' LYS . 63.4 m-85 -107.53 36.88 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.843 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.879 0.371 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -45.32 -48.2 13.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.44 -40.09 73.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.589 ' HD3' ' CD1' ' A' ' 35' ' ' TYR . 18.9 mttm -64.11 -66.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -42.57 -32.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.6 t -68.93 -41.13 78.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 49' ' ' LYS . 7.7 mt-30 -74.1 -35.66 64.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.81 -57.88 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.99 -44.3 78.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -63.57 -43.49 96.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.81 -54.26 37.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.514 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 64.7 t80 -60.39 -39.95 89.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -57.62 -39.96 78.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.515 HG13 ' HB3' ' A' ' 65' ' ' LYS . 66.7 t -75.03 -62.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' A' ' 13' ' ' LEU . 28.1 mt -49.84 -53.3 26.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.2 p -52.98 -26.73 16.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' GLU . 1.6 t70 -93.73 92.1 7.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 62' ' ' ASP . 7.0 pt-20 -37.55 -43.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.61 -56.1 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.515 ' HB3' HG13 ' A' ' 59' ' ' VAL . 46.9 mttt -61.44 -47.62 84.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.6 ttt-85 -48.96 -58.55 4.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -45.86 -45.01 14.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -67.29 -39.0 85.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -66.06 -39.58 90.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.3 t0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 179.912 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.813 0.339 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.461 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 23.8 m-85 -52.95 -39.61 63.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -56.27 -27.08 54.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -83.55 -44.12 14.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.611 HD13 ' HB3' ' A' ' 52' ' ' GLN . 70.0 mt -56.9 -41.78 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.6 mt -84.75 -39.93 17.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.4 39.06 4.58 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.0 m -124.08 149.37 60.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 143.06 49.68 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.643 2.229 . . . . 0.0 112.375 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -48.34 -31.05 5.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -97.72 34.01 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.99 159.32 26.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 21' ' ' GLN . 3.7 t -98.42 148.79 23.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 20' ' ' SER . 81.7 mm-40 -37.17 -52.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -47.91 -55.49 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -50.47 -49.81 54.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.548 HD13 ' HB3' ' A' ' 60' ' ' LEU . 56.7 mt -56.42 -42.79 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -62.19 -63.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -47.06 -55.83 7.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.68 -49.81 67.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.045 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -53.7 -55.0 30.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -58.61 -45.24 89.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -51.78 -53.01 44.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' ALA . 66.4 mt -66.9 -54.83 18.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' LEU . . . -35.8 -58.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -48.92 -43.44 39.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 74.6 tttt -66.62 -44.36 82.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.498 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 88.2 m-85 -100.72 39.92 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.583 0.706 . . . . 0.0 110.806 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.852 0.358 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -39.59 -53.57 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -62.44 -49.52 75.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -49.92 -61.49 2.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -46.9 -44.92 20.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 m -58.11 -42.89 86.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.611 ' HB3' HD13 ' A' ' 12' ' ' ILE . 12.0 mt-30 -65.44 -34.21 77.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.17 -59.45 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.77 -40.99 69.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.57 -43.81 88.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.461 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -64.86 -51.14 63.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.505 ' HD1' HG22 ' A' ' 24' ' ' ILE . 51.6 t80 -61.33 -44.4 97.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -56.44 -52.32 65.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.423 HG13 ' HB3' ' A' ' 65' ' ' LYS . 57.6 t -60.08 -63.21 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.548 ' HB3' HD13 ' A' ' 24' ' ' ILE . 15.8 mt -49.79 -61.19 2.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.5 p -43.37 -30.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.819 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -90.73 110.1 21.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -51.1 -31.01 17.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.1 t -73.55 -61.89 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HB3' HG13 ' A' ' 59' ' ' VAL . 58.4 mttm -51.34 -48.63 62.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.467 ' NH2' HD11 ' A' ' 24' ' ' ILE . 21.9 ttt180 -53.62 -49.55 67.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -54.34 -49.54 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -60.75 -42.2 96.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.429 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 2.8 t80 -71.43 -25.11 62.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.894 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.766 0.317 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -57.71 -37.44 73.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.405 ' CE2' ' CE2' ' A' ' 69' ' ' TYR . 73.7 m-85 -54.74 -25.47 27.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -85.88 -38.21 18.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.22 -34.96 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.2 mt -91.9 -22.14 20.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.39 39.61 10.87 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.13 152.92 64.36 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.652 0.739 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 155.82 65.0 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -11.45 13.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -123.29 38.13 4.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.49 172.77 7.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 21' ' ' GLN . 23.2 t -111.16 141.91 44.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 20' ' ' SER . 11.7 mm100 -35.85 -35.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.475 ' HE3' ' N ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -66.21 -53.71 33.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -59.61 -36.84 77.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.426 HD13 ' HB3' ' A' ' 60' ' ' LEU . 85.9 mt -61.92 -46.32 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -65.5 -58.63 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -50.89 -51.19 54.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -38.38 69.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.453 ' CG ' ' HB2' ' A' ' 57' ' ' TYR . 23.0 t80 -67.07 -60.8 2.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -54.37 -45.73 72.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -52.56 -52.8 53.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' LYS . 35.1 mt -64.77 -54.43 31.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -37.86 -53.03 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -58.51 -35.51 72.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' LEU . 35.2 tttm -71.19 -35.38 71.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -113.29 53.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.802 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.861 0.362 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.72 -57.48 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.25 -38.88 91.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -55.94 -57.09 13.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -51.35 -48.18 62.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.2 m -49.54 -40.2 37.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -65.41 -42.21 92.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.0 mt -55.44 -63.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.71 -44.5 48.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -62.51 -32.49 73.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.11 -52.14 11.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.453 ' HB2' ' CG ' ' A' ' 28' ' ' TYR . 57.7 t80 -62.51 -44.94 95.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -53.53 -49.41 67.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.2 -62.64 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.426 ' HB3' HD13 ' A' ' 24' ' ' ILE . 14.2 mt -51.67 -60.81 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 60' ' ' LEU . 85.9 p -36.21 -47.48 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.68 119.3 21.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.7 -36.99 72.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 86.2 t -65.87 -58.38 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -59.51 -36.51 76.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.6 ttt-85 -65.46 -53.69 39.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -53.18 -38.24 62.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -75.94 -34.99 59.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.405 ' CE2' ' CE2' ' A' ' 10' ' ' TYR . 3.2 t80 -68.19 -39.8 82.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 t0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.901 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.443 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.788 0.328 . . . . 0.0 110.833 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.403 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 19.9 m-85 -48.73 -40.48 28.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.979 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -55.0 -36.34 65.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -76.2 -44.36 38.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.72 -42.03 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 28' ' ' TYR . 35.6 mt -86.28 -19.17 30.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.64 32.07 38.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.492 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.2 m -113.88 152.2 45.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.627 0.727 . . . . 0.0 111.103 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 152.57 69.38 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.712 2.274 . . . . 0.0 112.363 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.3 mtt-85 -59.8 -20.81 59.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -106.72 34.38 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.9 170.36 16.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' GLU . 46.8 t -119.04 148.9 42.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' SER . 12.8 mm100 -35.09 -43.85 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -59.45 -45.57 91.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' SER . 20.3 mt-10 -57.91 -51.64 68.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 3.6 mp -52.21 -36.22 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -66.38 -66.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -45.14 -50.54 11.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.3 -47.05 74.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.477 ' CB ' ' O ' ' A' ' 24' ' ' ILE . 7.3 t80 -52.08 -62.17 1.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -50.85 -51.85 47.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -43.51 -51.86 6.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.9 mt -70.45 -55.42 9.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.67 -32.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -82.33 -35.43 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -68.9 -32.93 72.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -113.08 37.38 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.562 0.696 . . . . 0.0 110.879 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.816 0.341 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -53.47 -35.86 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -82.88 -38.56 22.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -61.01 -48.61 81.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -57.16 -48.04 79.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.1 m -54.05 -37.64 64.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -68.22 -42.29 80.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.72 -68.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.19 -39.39 4.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 59' ' ' VAL . 9.1 tp10 -67.47 -44.04 79.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.403 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -60.05 -46.96 87.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.489 ' CE2' ' HB3' ' A' ' 61' ' ' SER . 26.1 t80 -67.61 -59.11 3.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.973 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -37.47 -37.15 0.19 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 55' ' ' GLU . 84.0 t -77.13 -63.17 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 mt -54.71 -61.51 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.489 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 46.5 p -39.7 -32.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -90.4 108.16 19.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -46.95 -36.2 7.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.1 t -68.46 -68.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HB3' HG13 ' A' ' 59' ' ' VAL . 38.1 mttp -45.08 -51.07 10.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.2 ttt-85 -50.68 -58.23 6.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -40.7 -49.56 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -65.77 -36.78 84.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -63.28 -39.08 93.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.889 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.807 0.337 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.411 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 24.7 m-85 -70.15 -39.59 75.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -50.77 -36.33 36.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -78.49 -47.0 18.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.5 mt -54.63 -35.46 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.511 ' CD1' HD12 ' A' ' 60' ' ' LEU . 29.4 mt -92.23 -32.95 14.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.19 33.96 7.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 m -117.65 147.57 41.21 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.641 0.734 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HG2' ' HB2' ' A' ' 19' ' ' ALA . 53.4 Cg_endo -69.76 146.9 61.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.716 2.277 . . . . 0.0 112.314 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.94 -32.48 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -106.45 42.51 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.415 ' HB2' ' HG2' ' A' ' 16' ' ' PRO . . . -80.68 152.6 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 m -82.19 146.36 29.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -41.68 -50.02 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 23' ' ' GLU . 16.0 ptmt -52.04 -50.05 62.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 10.3 tt0 -55.09 -43.0 73.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.629 HD13 ' HB3' ' A' ' 60' ' ' LEU . 95.9 mt -58.52 -47.25 88.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -65.76 -55.87 14.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -50.55 -39.39 49.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.97 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.502 ' CD2' ' CG ' ' A' ' 57' ' ' TYR . 11.1 t80 -45.91 -54.42 8.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -61.44 -52.21 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -47.36 -53.67 13.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.54 -50.05 71.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.98 -50.79 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -61.49 -35.22 77.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.491 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 4.8 tmtm? -68.48 -41.75 79.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.491 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 87.1 m-85 -106.84 47.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 110.851 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.821 0.343 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -42.09 -35.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -85.71 -30.24 23.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 46' ' ' ALA . 39.8 mmtt -67.6 -44.42 78.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -63.24 -52.99 59.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -48.38 -43.23 33.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -68.11 -45.24 74.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.5 mt -50.99 -59.32 4.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.08 -57.77 5.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.505 ' O ' HG23 ' A' ' 59' ' ' VAL . 16.0 tp10 -53.3 -45.47 68.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -56.5 -47.4 79.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.502 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 47.4 t80 -66.97 -43.96 81.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -60.04 -39.18 85.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.76 HG13 ' HB3' ' A' ' 65' ' ' LYS . 77.3 t -72.96 -60.7 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.629 ' HB3' HD13 ' A' ' 24' ' ' ILE . 69.7 mt -53.59 -48.86 68.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p -49.07 -51.08 33.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -69.43 126.65 30.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -61.12 -29.75 69.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.3 t -74.67 -63.19 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.76 ' HB3' HG13 ' A' ' 59' ' ' VAL . 58.8 mttm -49.69 -38.23 32.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -66.57 -48.25 70.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -54.24 -48.47 71.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -67.84 -43.78 78.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.75 -35.85 79.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.892 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.806 0.336 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -54.88 -39.17 68.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.459 ' CE2' ' CE2' ' A' ' 69' ' ' TYR . 56.1 m-85 -56.05 -30.69 62.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -81.18 -41.56 22.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.74 -40.03 81.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.438 ' CD1' HD12 ' A' ' 60' ' ' LEU . 25.5 mt -84.8 -42.51 15.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.64 42.63 2.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.71 151.08 78.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.58 0.705 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.54 51.03 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.312 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -47.6 -32.24 5.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -99.5 37.43 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.49 156.11 33.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 21' ' ' GLN . 5.7 t -95.4 141.98 28.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 61' ' ' SER . 14.8 mm100 -35.7 -45.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -53.38 -51.85 61.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -60.01 -45.13 93.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.485 HD13 ' HB3' ' A' ' 60' ' ' LEU . 87.5 mt -57.02 -45.47 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -61.66 -61.84 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.05 -55.31 10.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.57 -51.87 57.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.11 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -46.17 -54.55 8.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -63.86 -49.5 72.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -46.49 -48.35 19.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.33 -50.82 23.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.82 -62.05 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -50.04 -42.06 48.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -61.04 -39.6 90.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -109.01 42.02 1.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 121.556 0.693 . . . . 0.0 110.871 179.92 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.863 0.363 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -41.44 -58.31 1.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.81 -46.07 90.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -51.31 -58.0 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -54.31 -48.25 71.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.5 t -52.74 -49.02 66.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -63.37 -36.21 82.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.86 -60.2 4.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.9 -54.82 20.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -54.36 -37.94 65.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.44 -51.66 64.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -61.26 -44.82 96.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -48.98 -42.09 36.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.91 -62.2 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.485 ' HB3' HD13 ' A' ' 24' ' ' ILE . 60.2 mt -52.76 -61.64 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.448 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 58.6 p -37.77 -48.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -76.16 137.75 40.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 64' ' ' VAL . 12.4 pt-20 -72.63 -44.2 62.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.422 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 54.5 t -60.6 -48.57 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -64.43 -49.02 73.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -55.66 -55.77 28.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -50.91 -43.56 59.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -67.17 -42.98 83.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.459 ' CE2' ' CE2' ' A' ' 10' ' ' TYR . 2.2 t80 -70.87 -21.77 62.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.903 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.861 0.362 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -52.64 -35.66 55.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -60.92 -28.24 68.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -82.63 -38.89 22.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.83 -37.06 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.499 HD23 HD12 ' A' ' 31' ' ' LEU . 25.5 mt -90.7 -19.99 22.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.05 47.99 10.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.95 150.85 76.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 111.154 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 144.02 53.0 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.1 mtt-85 -47.25 -33.62 5.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -94.18 34.37 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.05 128.88 33.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.9 t -71.44 152.53 43.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -44.1 -50.27 8.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 23' ' ' GLU . 6.2 ptmm? -48.4 -43.04 33.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 4.6 tp10 -63.99 -51.81 62.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.3 mt -53.75 -39.78 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -57.3 9.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.14 -55.16 36.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.05 -53.5 33.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -51.64 -68.2 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -44.22 -39.97 4.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -60.0 -63.57 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.719 HD23 ' HE2' ' A' ' 34' ' ' LYS . 77.1 mt -57.26 -53.31 59.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.11 -55.65 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -65.17 -34.24 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.719 ' HE2' HD23 ' A' ' 31' ' ' LEU . 28.6 ttpt -64.58 -25.71 68.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.482 ' CE2' ' HE3' ' A' ' 34' ' ' LYS . 83.3 m-85 -123.82 39.58 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 121.588 0.709 . . . . 0.0 110.869 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.862 0.363 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.431 ' C ' ' HD2' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -49.07 -38.32 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -76.11 -36.32 58.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -65.61 -60.88 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -43.32 -49.53 6.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.5 t -55.94 -41.46 74.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -69.57 -46.99 65.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.6 mt -52.05 -60.81 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.38 -48.6 36.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -56.63 -50.54 71.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.0 -45.79 75.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -64.81 -47.3 78.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.925 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -51.05 -50.33 58.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.837 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.9 -61.62 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.164 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' SER . 41.0 mt -53.01 -63.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 60' ' ' LEU . 24.5 p -36.82 -48.61 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -74.5 114.31 12.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.43 -42.18 70.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.3 -57.28 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -59.77 -40.56 88.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -59.0 -49.74 76.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -54.46 -48.86 71.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -64.48 -47.58 78.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -58.11 -42.95 86.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.805 0.336 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -58.26 -45.56 87.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -48.63 -45.1 37.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -70.86 -44.64 65.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.426 HG22 HD23 ' A' ' 53' ' ' LEU . 92.2 mt -53.39 -37.99 31.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 28' ' ' TYR . 35.7 mt -89.36 -30.77 18.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.6 38.9 5.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.9 m -124.36 151.74 66.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.03 61.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -61.66 -16.21 46.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -109.64 33.68 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.95 170.06 16.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -118.37 168.82 10.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -58.23 -29.09 65.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.37 -52.64 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -59.16 -39.19 81.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.2 mt -66.3 -36.51 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -69.58 -39.96 77.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -75.22 -43.6 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.69 81.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.457 ' HA ' HD22 ' A' ' 13' ' ' LEU . 16.0 t80 -63.66 -66.75 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -48.12 -35.59 11.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -58.75 -56.6 20.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.56 -43.55 84.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.53 -29.44 50.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -83.83 -33.2 24.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.466 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 9.5 ttmm -69.76 -29.05 66.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.466 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 95.7 m-85 -118.19 38.44 3.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 110.881 179.923 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.876 0.369 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -40.22 -55.68 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -68.33 -32.78 73.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -61.43 -43.45 98.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -67.26 -44.14 80.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.7 m -50.56 -41.68 54.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -67.65 -50.57 57.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.426 HD23 HG22 ' A' ' 12' ' ' ILE . 72.7 mt -48.14 -62.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.21 -50.37 38.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -57.61 -33.18 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.26 -52.56 39.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -61.72 -44.01 97.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -51.51 -47.88 63.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.7 -55.94 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.2 mt -56.36 -66.68 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.8 p -37.94 -38.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.25 113.31 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -56.18 -33.56 65.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.1 t -74.16 -60.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -50.05 -44.79 51.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.7 ttt-85 -57.04 -55.97 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -43.01 -43.27 4.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -74.52 -34.32 62.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.513 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -68.16 -30.99 70.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.7 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.907 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.878 0.371 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -56.3 -41.96 76.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -49.82 -28.79 6.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -84.06 -41.1 17.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.2 mt -60.49 -36.98 73.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.2 mt -88.8 -35.52 16.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.57 39.85 4.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.496 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 m -123.67 150.03 60.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 0.0 111.153 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 140.99 44.24 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.728 2.285 . . . . 0.0 112.364 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -46.08 -21.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -107.38 37.32 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.07 -177.29 4.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.047 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 21' ' ' GLN . 34.1 t -133.22 153.86 51.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' SER . 2.2 mp0 -37.37 -52.05 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -52.66 -57.21 10.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -55.8 -41.11 73.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.43 HD13 ' HB3' ' A' ' 60' ' ' LEU . 65.4 mt -63.75 -41.44 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -68.84 -57.9 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -52.16 -40.96 62.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.65 -45.94 67.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.551 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 13.2 t80 -51.83 -49.59 62.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -64.41 -42.45 96.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.973 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -53.15 -47.43 68.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.991 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.36 -54.69 8.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.23 -51.35 3.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -54.3 -41.35 68.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -67.73 -48.25 67.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -94.11 34.72 1.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.822 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.818 0.342 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -52.04 -35.24 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -80.93 -43.01 20.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.45 -57.95 10.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -44.51 -41.46 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 m -58.56 -41.75 86.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -71.02 -34.29 71.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.8 mt -64.16 -50.4 68.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.551 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -62.7 -51.95 65.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.549 ' O ' HG23 ' A' ' 59' ' ' VAL . 23.9 tt0 -51.62 -43.14 62.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.98 -43.42 86.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -69.26 -45.45 69.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.56 -50.3 74.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 55' ' ' GLU . 86.3 t -59.11 -61.21 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HB3' HD13 ' A' ' 24' ' ' ILE . 45.5 mt -54.1 -63.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.7 p -41.22 -37.06 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -78.96 109.45 13.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -49.85 -36.5 27.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.57 -64.67 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -46.78 -42.15 16.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -56.45 -59.66 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -44.2 -42.18 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -66.1 -40.45 90.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -65.73 -48.22 72.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -48.86 -35.23 14.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.507 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 40.1 m-85 -55.89 -33.38 64.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -77.46 -42.24 36.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.0 -36.93 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 60' ' ' LEU . 39.6 mt -89.79 -40.68 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.02 40.25 3.59 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 m -129.12 151.23 77.34 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.663 0.744 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 19' ' ' ALA . 53.5 Cg_endo -69.8 139.27 39.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.329 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.507 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 73.8 mtp180 -41.97 -34.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -96.19 39.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -75.6 164.42 26.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' GLN . 3.6 m -102.87 143.42 32.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' SER . 51.8 mm-40 -37.92 -39.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -62.5 -56.17 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -59.41 -42.92 92.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.76 -43.53 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -70.81 -52.83 18.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -53.06 -42.47 65.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.94 68.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.096 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.709 ' CD2' ' CG ' ' A' ' 57' ' ' TYR . 11.8 t80 -72.69 -52.17 16.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -61.24 -36.75 80.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -60.41 -50.16 74.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.449 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 12.2 mt -70.86 -44.34 66.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.09 -34.92 68.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -80.49 -35.94 34.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.55 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -69.65 -35.37 75.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.585 ' CD1' ' HE3' ' A' ' 49' ' ' LYS . 60.1 m-85 -114.07 30.96 6.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.721 . . . . 0.0 110.837 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.886 0.375 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -61.37 -45.88 92.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -78.19 -45.03 24.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.585 ' HE3' ' CD1' ' A' ' 35' ' ' TYR . 8.1 mtpp -56.17 -44.88 79.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -59.64 -47.53 85.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 m -57.88 -48.35 80.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -61.04 -35.51 77.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.8 mt -67.91 -63.05 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -51.78 -44.47 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.39 -44.04 88.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.6 -40.89 96.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.709 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 61.6 t80 -71.82 -58.68 3.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -38.91 -29.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.441 HG22 ' HZ2' ' A' ' 65' ' ' LYS . 54.4 t -84.71 -63.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 13' ' ' LEU . 32.2 mt -53.72 -53.01 58.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.4 p -42.44 -40.69 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -86.24 122.01 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.28 -38.58 71.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 t -68.57 -68.86 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.441 ' HZ2' HG22 ' A' ' 59' ' ' VAL . 4.2 mtpm? -46.47 -32.95 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -66.57 -57.88 6.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -46.16 -42.43 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -69.06 -42.23 76.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -54.46 -41.44 69.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.6 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.902 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -49.06 -38.79 25.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -55.49 -36.18 66.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -74.04 -40.1 63.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.2 mt -59.33 -33.48 51.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.452 ' CD2' ' HA ' ' A' ' 28' ' ' TYR . 67.3 mt -92.14 -28.28 17.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.85 36.3 7.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.8 m -121.24 147.03 46.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.656 0.741 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 146.23 59.48 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.254 . . . . 0.0 112.346 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.0 -25.26 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -104.96 36.27 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.53 159.93 24.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 m -94.84 151.07 19.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.549 ' HA ' HD12 ' A' ' 24' ' ' ILE . 3.4 tp-100 -42.59 -54.28 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -47.72 -48.94 29.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -57.62 -36.56 71.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 21' ' ' GLN . 36.6 mt -66.22 -43.65 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.111 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -70.65 -41.43 72.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.22 -50.62 69.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.05 -50.93 72.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.467 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 21.7 t80 -47.25 -68.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -50.54 -46.72 57.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -53.44 -34.65 58.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 20.9 mt -88.23 -26.98 22.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.51 -63.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -53.26 -39.07 63.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 31.8 tttm -58.85 -35.38 72.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.494 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 53.6 m-85 -116.83 39.36 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.56 0.695 . . . . 0.0 110.856 179.947 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.837 0.351 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 48' ' ' GLU . 19.1 pttm -45.74 -40.96 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.474 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 2.5 tt0 -73.25 -38.38 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -61.78 -53.58 54.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -53.81 -50.36 66.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.8 m -54.55 -27.17 36.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -80.55 -52.84 7.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.9 mt -46.7 -62.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.467 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -45.64 -61.99 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -45.15 -51.66 10.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.85 -57.14 12.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -53.16 -46.42 68.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -48.95 -52.23 25.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.9 t -62.51 -62.91 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.176 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.432 ' CD1' HD12 ' A' ' 13' ' ' LEU . 40.3 mt -52.16 -65.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' LEU . 46.4 p -35.68 -53.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.466 ' CB ' ' HD2' ' A' ' 65' ' ' LYS . 9.2 t0 -72.21 108.18 5.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 64' ' ' VAL . 8.0 pt-20 -45.13 -41.12 7.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.47 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 92.8 t -62.23 -65.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.466 ' HD2' ' CB ' ' A' ' 62' ' ' ASP . 31.0 mttm -50.64 -39.65 51.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -58.85 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -43.96 -44.99 7.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -61.71 -32.89 73.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -80.8 -27.57 36.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.822 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -80.42 115.63 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.39 . . . . 0.0 110.86 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.8 p -60.13 108.54 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.38 92.4 2.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 p -93.68 141.15 28.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -141.67 120.62 12.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.88 -46.04 0.94 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -68.24 104.16 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -49.62 -43.68 46.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -49.85 -34.75 20.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -79.42 -44.24 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.21 -43.35 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 28' ' ' TYR . 32.2 mt -80.83 -39.27 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.3 36.85 3.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.466 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.1 m -123.62 154.46 66.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 154.23 67.84 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.31 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -54.88 -23.88 20.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -111.15 40.85 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.95 173.05 3.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.4 p -115.92 145.89 42.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -38.84 -44.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -61.89 -50.42 72.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -45.04 88.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.519 HD13 ' HB3' ' A' ' 60' ' ' LEU . 96.5 mt -57.52 -46.68 86.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -64.96 -57.66 8.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -52.37 -50.2 62.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.874 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.34 -56.38 21.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.413 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 18.5 t80 -40.88 -56.76 2.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -61.1 -46.84 88.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -51.14 -51.32 54.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.17 -50.86 59.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -46.16 -53.89 9.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -59.31 -35.14 73.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' C ' ' HD3' ' A' ' 34' ' ' LYS . 7.8 tmtm? -69.63 -40.76 76.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -102.97 38.44 1.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.608 ' HB3' HG22 ' A' ' 39' ' ' THR . 2.0 t-80 -68.77 140.63 91.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.552 0.691 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.542 ' HD2' ' CD2' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.79 -26.28 27.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.62 2.213 . . . . 0.0 112.35 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.35 -58.02 5.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.608 HG22 ' HB3' ' A' ' 36' ' ' HIS . 6.8 t -64.24 -32.09 73.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -88.43 84.6 6.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -84.65 -52.41 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -89.37 32.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -130.45 85.67 55.67 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.561 0.696 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -25.63 28.77 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.722 2.281 . . . . 0.0 112.359 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -72.2 -37.84 69.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -49.57 -53.59 22.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -38.56 -35.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -79.16 -38.81 35.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 46' ' ' ALA . 24.8 mttt -61.36 -49.91 75.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.422 ' HA ' HD12 ' A' ' 53' ' ' LEU . 34.3 t80 -52.76 -49.08 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.0 m -51.34 -43.47 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -59.62 -40.35 87.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 50' ' ' PHE . 70.8 mt -57.74 -66.16 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -41.23 -52.52 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -57.54 -44.58 85.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.8 -54.38 47.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.504 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 64.5 t80 -58.0 -57.1 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 57' ' ' TYR . 29.0 tt0 -35.75 -50.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.632 HG13 ' HB3' ' A' ' 65' ' ' LYS . 54.3 t -66.83 -60.93 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.519 ' HB3' HD13 ' A' ' 24' ' ' ILE . 73.2 mt -50.8 -66.59 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.504 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 92.1 p -38.92 -28.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.7 t70 -92.26 119.69 32.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -59.44 -38.92 81.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.36 -56.11 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.632 ' HB3' HG13 ' A' ' 59' ' ' VAL . 62.1 mttt -62.16 -41.92 98.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -60.48 -47.5 85.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -57.59 -52.67 64.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -62.33 -42.85 99.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.961 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.23 -32.41 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -57.57 -36.64 71.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.0 -41.76 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -87.74 20.57 2.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.1 56.91 1.08 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -114.75 147.16 40.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -107.85 83.47 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -11.39 30.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 78' ' ' SER . 8.9 m -52.42 107.9 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 77' ' ' SER . 86.8 p -34.5 142.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.49 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 p -52.61 -16.33 0.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.886 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -132.74 137.18 46.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.28 174.55 30.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 p -81.13 159.57 24.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 p -65.97 89.64 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.5 -52.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.36 108.66 2.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.349 . . . . 0.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.513 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 24.8 m-85 -59.14 -44.32 92.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -53.77 -24.09 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -89.22 -38.88 13.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.52 -33.8 63.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.542 HD12 HD12 ' A' ' 60' ' ' LEU . 32.4 mt -92.81 -29.47 15.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.93 40.2 6.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.438 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -123.93 153.84 67.54 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.711 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.488 ' HG2' ' HB2' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.68 156.81 62.58 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.4 mtt85 -63.44 -11.46 23.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -128.18 38.69 3.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.488 ' HB2' ' HG2' ' A' ' 16' ' ' PRO . . . -72.6 176.81 5.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 t -103.05 152.45 21.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -51.04 -25.14 4.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.55 -47.95 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -18.51 35.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.458 HD13 ' HB3' ' A' ' 60' ' ' LEU . 70.0 mt -83.36 -39.57 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -68.51 -49.15 61.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -59.32 -51.42 70.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.9 -49.89 72.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -52.85 -50.88 62.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -63.02 -41.19 99.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -55.62 -45.28 77.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 10.9 mt -76.71 -44.13 34.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.67 -66.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -47.85 -37.52 14.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -66.26 -39.5 89.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -109.22 39.79 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.508 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.7 t-80 -80.59 140.46 51.54 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.54 0.686 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.508 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.73 -30.06 23.04 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.706 2.27 . . . . 0.0 112.318 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.588 ' OD1' HG23 ' A' ' 39' ' ' THR . 0.8 OUTLIER -68.78 -17.54 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.588 HG23 ' OD1' ' A' ' 38' ' ' ASP . 31.4 p -114.49 -11.38 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -111.98 59.14 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -64.12 -47.15 81.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -90.91 21.4 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -130.03 86.01 55.75 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.637 0.732 . . . . 0.0 110.835 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -31.57 20.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.628 2.219 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -61.96 -26.42 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.26 98.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.08 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.56 -57.49 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.33 -35.41 73.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -64.29 -44.32 92.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -58.9 -49.68 76.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.4 t -49.86 -41.33 45.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -63.44 -43.84 96.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.67 -59.59 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.26 -44.8 72.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.8 -48.42 81.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.513 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -63.36 -46.33 87.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -60.14 -44.09 95.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -54.33 -43.03 70.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.21 -62.11 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.542 HD12 HD12 ' A' ' 13' ' ' LEU . 55.1 mt -55.63 -62.52 1.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.6 p -38.25 -48.26 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -74.51 120.36 19.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -59.27 -33.38 70.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 88.3 t -71.49 -61.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -50.97 -46.84 61.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -49.82 -61.84 1.9 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -41.15 -47.46 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -64.32 -38.98 92.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -63.43 -52.08 63.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -57.31 -49.04 77.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.57 -59.85 3.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -64.49 -25.44 68.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.78 81.05 0.52 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.529 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 t -92.67 141.61 28.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.954 0.407 . . . . 0.0 110.836 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.91 175.75 15.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -9.0 25.05 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.8 p 46.94 44.22 14.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t -133.09 162.66 31.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 m -151.3 113.35 4.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -49.87 112.59 0.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.93 105.79 1.68 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -66.46 172.59 3.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 m -118.95 -50.34 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.25 59.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.17 97.81 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -48.28 -43.3 32.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -52.66 -34.59 52.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -79.29 -43.57 23.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.0 mt -55.83 -32.7 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 28' ' ' TYR . 28.8 mt -92.94 -28.68 16.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.03 26.56 15.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.4 m -112.88 149.39 41.18 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.605 0.717 . . . . 0.0 111.138 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 156.68 62.64 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.746 2.297 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -58.79 -26.51 64.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -104.14 43.28 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.84 158.53 16.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m -103.22 159.86 15.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.55 ' HA ' HD12 ' A' ' 24' ' ' ILE . 2.3 mp0 -42.4 -49.04 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -50.38 -56.8 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -51.98 -47.44 64.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 21' ' ' GLN . 22.4 mt -57.32 -46.55 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -58.53 -64.54 0.89 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -46.5 -49.51 18.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.28 80.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.419 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 15.3 t80 -62.9 -58.74 6.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -59.95 -34.02 72.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -62.15 -59.17 5.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 34' ' ' LYS . 3.4 mm? -57.04 -58.13 9.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.78 -61.62 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -45.55 -30.04 1.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' LEU . 41.7 tttm -75.49 -48.26 23.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -101.86 43.67 1.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.3 t-80 -77.71 140.6 63.59 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 110.848 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.72 -10.07 27.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.742 2.295 . . . . 0.0 112.318 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -77.04 -47.8 19.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 t -87.88 -10.35 50.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.206 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -105.19 77.03 1.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -81.76 -57.65 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -84.82 27.83 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -126.43 85.62 59.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -25.25 28.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -69.88 -34.53 73.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.23 -46.43 72.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -33.51 4.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -81.46 -33.95 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -66.87 -43.44 83.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -57.17 -52.0 67.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 p -43.65 -46.27 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -61.16 -35.83 78.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.45 -68.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.18 -41.1 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -67.62 -39.87 84.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.419 ' O ' HD12 ' A' ' 60' ' ' LEU . . . -62.72 -37.44 86.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -75.22 -45.81 37.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -51.66 -56.55 13.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 37.1 t -60.76 -61.32 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 56' ' ' ALA . 60.5 mt -50.51 -68.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' LEU . 51.1 m -37.14 -42.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.88 102.92 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -44.14 -40.48 5.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.9 -62.12 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -53.89 -35.94 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -65.55 -48.15 73.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -54.36 -49.29 70.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -69.91 -40.99 75.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -60.55 -37.63 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -71.02 -40.22 71.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.67 -56.6 17.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -76.21 -15.45 60.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.42 -74.06 0.34 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.4 m -124.27 174.04 7.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.67 146.66 18.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 77' ' ' SER . 53.3 Cg_endo -69.74 -47.51 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 76' ' ' PRO . 80.1 p -35.92 -51.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.3 p -93.35 -70.11 0.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -66.59 81.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.83 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 t -100.11 105.44 17.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.08 -58.55 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.562 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.0 t -47.83 -43.86 28.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.378 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 m 49.9 45.63 24.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.41 95.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.535 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -90.63 101.85 14.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.414 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 22.0 m-85 -49.78 -50.96 42.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -44.75 -42.01 7.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -68.21 -39.32 82.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.07 -43.66 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.59 ' O ' HD11 ' A' ' 31' ' ' LEU . 29.6 mt -83.96 -28.43 27.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.28 32.12 17.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.6 m -116.74 148.97 43.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 142.68 48.7 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.26 . . . . 0.0 112.382 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -44.88 -37.21 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -98.64 42.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.91 129.46 34.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLU . 28.2 m -59.36 139.35 57.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -38.46 -38.48 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.96 -44.77 95.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' SER . 5.9 tp10 -60.34 -41.38 93.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.447 HD13 ' HB3' ' A' ' 60' ' ' LEU . 93.3 mt -62.94 -41.46 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.5 ttpt -69.84 -62.95 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -47.6 -41.58 22.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.47 -47.73 69.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -54.33 -48.35 71.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -64.4 -34.37 78.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.939 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -64.22 -54.96 25.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.59 HD11 ' O ' ' A' ' 13' ' ' LEU . 21.8 mt -62.31 -50.25 72.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.0 -55.96 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -57.63 -34.75 69.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.97 -31.55 66.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -111.27 36.57 3.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.1 t-80 -76.71 140.5 67.7 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.572 0.701 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.72 -39.28 6.78 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 2.264 . . . . 0.0 112.385 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -53.64 -34.54 58.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.4 p -96.95 -10.93 25.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -112.27 72.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -78.96 -51.06 10.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -82.4 16.58 2.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -120.06 86.64 37.55 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.555 0.693 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -25.48 28.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.644 2.229 . . . . 0.0 112.373 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -71.2 -37.75 72.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -44.79 -51.02 9.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -37.57 -48.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.79 -37.49 84.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -63.7 -51.78 63.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -52.87 -51.09 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.5 t -53.92 -39.84 66.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -65.85 -33.21 75.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.8 mt -68.42 -55.23 12.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.32 -52.93 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -58.04 -40.51 81.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.414 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -64.01 -38.99 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 40.5 t80 -74.72 -58.24 3.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' TYR . 24.6 tt0 -37.36 -38.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.3 t -73.62 -60.24 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' HB3' HD13 ' A' ' 24' ' ' ILE . 50.3 mt -56.44 -58.6 7.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.58 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 95.3 p -40.11 -43.38 1.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -73.49 161.75 30.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.68 -36.17 10.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.8 t -74.46 -44.28 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -67.12 -38.59 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -68.16 -49.37 61.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -56.68 -45.88 81.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -68.81 -41.22 78.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.96 -35.82 81.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.46 -39.57 73.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.84 -49.62 7.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -84.86 27.8 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.78 -70.15 1.14 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.425 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.7 m -116.89 149.01 40.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.951 0.405 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.92 150.44 24.06 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 91.86 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.649 2.232 . . . . 0.0 112.359 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.3 m -65.93 129.57 40.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -65.52 168.36 7.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -133.89 136.19 44.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.935 0.397 . . . . 0.0 110.828 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -108.55 172.53 6.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.79 -133.1 6.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -48.11 142.05 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 p -158.69 -178.45 7.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.842 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.65 40.95 3.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -82.2 110.05 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.765 0.317 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.408 ' CE2' HG11 ' A' ' 59' ' ' VAL . 23.3 m-85 -49.27 -20.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -71.85 -35.19 69.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.413 ' CG ' ' N ' ' A' ' 12' ' ' ILE . 1.5 pt20 -73.36 -42.8 61.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.503 HG23 ' NE2' ' A' ' 52' ' ' GLN . 87.3 mt -55.5 -40.32 58.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.2 mt -89.24 -34.08 16.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.12 46.59 4.4 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.449 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 m -132.54 150.46 75.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.732 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 19' ' ' ALA . 54.5 Cg_endo -69.72 140.18 42.19 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.381 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 mtm-85 -41.84 -32.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -98.64 39.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -84.07 128.86 34.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 t -62.59 150.42 40.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -47.9 -37.42 14.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -60.93 -46.4 90.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -59.16 -41.07 87.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.554 HG22 ' HD1' ' A' ' 57' ' ' TYR . 56.1 mt -67.53 -39.4 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -66.97 -43.36 83.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -71.28 -50.16 35.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.06 -49.45 71.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 54' ' ' ALA . 8.8 t80 -55.16 -68.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -50.69 -42.17 56.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.951 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -58.75 -38.52 78.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 mt -75.41 -57.44 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.44 ' HB1' ' CE2' ' A' ' 50' ' ' PHE . . . -46.63 -54.74 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -51.82 -36.15 46.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -72.26 -43.94 63.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.901 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -98.16 37.77 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 5.5 t-80 -73.57 140.31 78.58 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.831 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.75 -24.58 29.56 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.0 -46.28 82.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.6 p -82.91 -19.03 38.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.418 ' OD1' ' CB ' ' A' ' 43' ' ' ASP . 16.0 m-80 -98.5 90.34 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -89.77 -30.65 17.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -115.2 30.07 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.418 ' CB ' ' OD1' ' A' ' 40' ' ' ASN . 8.0 t0 -129.25 86.34 56.92 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.63 0.728 . . . . 0.0 110.838 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -25.65 28.43 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.701 2.268 . . . . 0.0 112.334 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -70.68 -40.13 73.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.68 -44.99 27.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -44.78 -57.25 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.12 -40.07 76.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -64.55 -24.0 67.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.44 ' CE2' ' HB1' ' A' ' 32' ' ' ALA . 29.3 t80 -83.94 -37.87 21.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.6 m -69.69 -25.51 63.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.503 ' NE2' HG23 ' A' ' 12' ' ' ILE . 11.9 pt20 -82.93 -39.63 21.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.472 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 38.3 mt -55.98 -56.94 14.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 28' ' ' TYR . . . -48.17 -60.3 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -44.24 -47.88 9.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.19 -60.73 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.554 ' HD1' HG22 ' A' ' 24' ' ' ILE . 77.1 t80 -51.04 -45.65 61.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -55.87 -48.58 75.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.408 HG11 ' CE2' ' A' ' 9' ' ' TYR . 24.6 t -63.91 -57.24 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 61' ' ' SER . 63.2 mt -59.48 -62.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' LEU . 98.5 p -35.45 -52.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -68.23 137.95 55.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.71 -30.16 59.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.2 -57.86 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -57.61 -44.38 85.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -59.72 -56.17 25.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -52.42 -45.07 65.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -67.97 -36.87 80.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -65.64 -48.59 71.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -63.06 -40.21 97.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.84 -46.31 89.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -72.08 -28.21 63.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.18 -45.45 73.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.1 t -113.4 170.87 7.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 79' ' ' GLY . . . -156.99 -94.97 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -39.52 6.3 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 t -41.37 -64.65 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 t -106.0 -70.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.532 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -85.7 108.9 18.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 110.805 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -77.28 150.99 35.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.99 -111.74 3.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m 49.84 42.19 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.372 . . . . 0.0 110.803 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -105.2 149.43 25.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.8 86.21 0.49 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -83.86 99.34 10.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.775 0.321 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.535 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 26.6 m-85 -50.42 -52.89 33.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.514 ' CE2' ' CE2' ' A' ' 69' ' ' TYR . 57.6 m-85 -43.32 -33.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.909 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -81.14 -38.55 26.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.5 mt -64.37 -46.01 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.717 HD12 HD12 ' A' ' 60' ' ' LEU . 27.1 mt -79.94 -31.72 40.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.68 36.71 7.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -119.47 154.91 54.5 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.599 0.714 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 148.15 64.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -52.24 -21.12 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -117.33 41.87 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.54 177.86 6.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.4 m -119.8 149.08 42.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -39.54 -35.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -64.68 -50.21 67.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.84 -42.36 97.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.767 HD11 ' NH2' ' A' ' 66' ' ' ARG . 42.9 mt -63.06 -40.91 90.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -67.88 -51.66 45.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -58.03 -58.11 9.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.54 -48.82 57.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.485 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 36.0 t80 -52.41 -57.76 8.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -57.88 -37.99 74.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -60.6 -39.51 88.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.601 HD13 HD21 ' A' ' 53' ' ' LEU . 54.8 mt -78.81 -54.48 6.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.652 ' HB1' ' HE1' ' A' ' 50' ' ' PHE . . . -45.62 -65.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.072 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -43.98 -41.13 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 9.3 ttmm -66.63 -39.59 88.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.451 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 59.9 m-85 -108.45 37.9 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.561 ' CD2' ' HD2' ' A' ' 37' ' ' PRO . 1.9 t-80 -72.96 140.64 80.88 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.551 0.691 . . . . 0.0 110.843 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.561 ' HD2' ' CD2' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.77 -12.64 33.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.384 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.63 -61.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.8 t -75.31 -2.48 28.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -113.96 93.12 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -93.33 -51.4 5.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -96.92 29.13 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -114.37 88.29 15.27 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.552 0.691 . . . . 0.0 110.832 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -25.57 28.25 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.68 2.254 . . . . 0.0 112.336 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -71.32 -37.71 71.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.22 -53.17 54.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.74 -52.71 2.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -61.91 -43.09 99.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -56.58 -62.0 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.652 ' HE1' ' HB1' ' A' ' 32' ' ' ALA . 15.8 t80 -47.76 -51.14 23.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -46.21 -41.34 12.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -71.95 -44.45 63.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.601 HD21 HD13 ' A' ' 31' ' ' LEU . 71.1 mt -54.29 -60.82 2.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.485 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -47.64 -56.75 6.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -53.6 -41.31 66.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.535 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -61.41 -38.55 87.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -75.07 -46.19 36.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -53.96 -48.96 69.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.68 -57.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.717 HD12 HD12 ' A' ' 13' ' ' LEU . 81.9 mt -56.59 -67.37 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 60' ' ' LEU . 60.1 p -36.76 -51.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -68.46 111.87 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -49.4 -41.32 39.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.8 t -65.29 -67.64 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -47.19 -37.75 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.767 ' NH2' HD11 ' A' ' 24' ' ' ILE . 27.4 ttt180 -62.47 -54.37 41.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -49.84 -43.4 48.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -66.82 -44.04 82.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.514 ' CE2' ' CE2' ' A' ' 10' ' ' TYR . 1.3 t80 -61.02 -43.24 99.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -69.28 -47.1 65.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.9 -50.08 14.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -81.07 -28.69 35.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -45.98 136.46 8.32 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.6 p -97.46 140.34 32.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.75 -165.57 24.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 95.23 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.7 m -101.65 97.48 7.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -45.14 -52.4 9.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -64.64 105.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 t -44.24 134.43 4.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.69 160.18 35.22 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.3 p -128.4 89.84 2.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 110.884 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -120.23 81.78 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.53 110.57 0.94 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -77.79 102.69 7.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.78 0.324 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.839 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 20.9 m-85 -49.02 -41.65 35.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -53.82 -28.57 36.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -81.66 -40.97 22.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.591 HG22 HD23 ' A' ' 53' ' ' LEU . 93.4 mt -59.47 -38.84 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.828 ' O ' HD11 ' A' ' 31' ' ' LEU . 38.4 mt -87.69 -36.97 17.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.37 44.95 3.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.88 151.47 78.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.62 0.724 . . . . 0.0 111.099 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 140.2 42.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.238 . . . . 0.0 112.317 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -46.16 -30.07 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -99.6 36.35 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.8 159.01 30.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' LYS . 18.9 t -95.62 141.08 29.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' SER . 4.0 tp-100 -37.29 -30.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' SER . 72.5 mttt -68.05 -58.56 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -50.76 -46.57 59.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.7 mt -53.71 -53.96 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 tttp -55.74 -66.81 0.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -43.31 -48.87 6.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.67 -52.07 66.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.078 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 19.5 t80 -49.56 -60.89 2.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -56.02 -53.69 53.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -47.59 -54.86 10.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.828 HD11 ' O ' ' A' ' 13' ' ' LEU . 23.6 mt -61.73 -57.62 11.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' LEU . . . -37.46 -58.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -55.82 -35.4 66.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.522 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 4.4 tmtm? -67.98 -47.45 68.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.522 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 88.4 m-85 -96.75 44.08 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.5 t-80 -79.58 140.5 55.51 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.57 0.7 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.1 Cg_endo -69.77 -4.6 14.37 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -75.21 -62.11 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.0 t -77.08 -8.34 57.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -109.89 78.74 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -85.0 -51.63 6.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.68 25.82 1.03 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.87 87.59 46.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.633 0.73 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -25.5 28.79 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -73.22 -30.17 63.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.53 -46.55 89.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.064 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.66 -56.94 2.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -66.65 -33.67 76.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -59.86 -49.33 78.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -58.82 -52.36 66.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -50.06 -36.54 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -67.09 -44.51 79.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.591 HD23 HG22 ' A' ' 12' ' ' ILE . 80.5 mt -53.07 -59.12 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.561 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -55.57 -43.02 75.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -57.22 -47.71 80.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.839 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -65.12 -45.14 86.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.083 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -57.75 -46.84 83.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -51.86 -48.72 63.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.449 HG13 ' HB3' ' A' ' 65' ' ' LYS . 75.5 t -64.7 -57.58 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.418 ' CD1' HD12 ' A' ' 13' ' ' LEU . 25.9 mt -55.44 -63.78 1.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 81.2 p -40.89 -34.15 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.94 117.81 25.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -56.2 -42.97 78.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.64 -62.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.449 ' HB3' HG13 ' A' ' 59' ' ' VAL . 50.0 mttm -55.3 -42.18 73.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -60.61 -54.69 42.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -49.99 -43.38 50.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -68.32 -42.52 79.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.449 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -64.32 -36.27 83.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -55.92 -41.32 74.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.21 -45.55 11.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -90.48 29.94 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -105.71 114.84 4.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.3 p -86.89 166.87 14.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.373 . . . . 0.0 110.905 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.42 168.81 40.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 -30.72 21.26 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.5 p -51.49 154.57 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.2 p -94.14 125.95 39.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.495 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 t -52.94 124.69 14.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -48.15 112.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.93 -142.17 7.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 p -116.22 160.15 20.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.897 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 m -106.86 39.38 1.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.27 62.84 0.28 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.11 108.39 19.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.35 . . . . 0.0 110.821 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.508 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 22.8 m-85 -53.14 -40.32 64.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -53.24 -42.78 66.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -68.25 -45.06 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.531 HG22 HD23 ' A' ' 53' ' ' LEU . 88.5 mt -51.62 -39.94 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.681 ' HA ' HD22 ' A' ' 31' ' ' LEU . 27.9 mt -89.29 -30.3 18.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.74 37.99 5.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 m -119.48 151.05 50.99 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.654 0.74 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 142.35 48.07 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.74 2.293 . . . . 0.0 112.37 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.8 mtt-85 -46.52 -24.54 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -107.4 37.17 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.76 151.27 30.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 t -89.78 149.92 22.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.578 ' HA ' HD12 ' A' ' 24' ' ' ILE . 9.4 mm100 -43.31 -47.74 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -53.5 -47.46 69.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.68 -35.55 76.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 21' ' ' GLN . 17.4 mt -64.06 -51.34 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.181 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -55.77 -55.58 30.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -54.36 -53.99 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.97 -35.7 67.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.513 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 16.6 t80 -63.12 -53.52 52.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -64.69 -27.92 69.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -68.68 -57.45 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 13' ' ' LEU . 8.0 mp -68.33 -47.63 66.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -39.96 -34.85 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -88.5 -32.87 18.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 6.7 tmtm? -65.14 -37.11 86.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 72.2 m-85 -101.93 24.22 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.571 ' CD2' ' HD2' ' A' ' 37' ' ' PRO . 1.9 t-80 -59.83 140.57 89.83 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.567 0.699 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.571 ' HD2' ' CD2' ' A' ' 36' ' ' HIS . 53.6 Cg_endo -69.76 -25.76 28.26 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.326 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.32 -52.8 51.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.2 p -74.33 -30.26 61.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -86.33 61.05 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -66.32 -49.44 67.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -89.56 24.62 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . 2.6 m-20 -132.73 89.99 33.75 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.539 0.685 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 43' ' ' ASP . 53.6 Cg_endo -69.71 -40.59 5.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -55.78 -41.4 74.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.08 -39.08 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -47.76 -59.52 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -36.25 76.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -61.13 -43.77 98.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.488 ' HA ' HD12 ' A' ' 53' ' ' LEU . 31.7 t80 -61.66 -51.66 67.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.9 p -52.51 -34.29 49.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -71.08 -39.85 71.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.531 HD23 HG22 ' A' ' 12' ' ' ILE . 55.1 mt -55.53 -63.05 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.513 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -45.09 -48.89 11.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -58.94 -51.06 71.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -54.18 -43.66 70.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -66.09 -45.41 81.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -52.91 -42.58 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.2 t -75.63 -62.04 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.495 ' CD1' HD12 ' A' ' 13' ' ' LEU . 92.7 mt -44.44 -50.47 9.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.51 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 83.9 p -53.69 -41.03 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -87.66 94.2 9.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -41.81 -37.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.9 t -62.41 -51.84 67.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -64.03 -36.46 84.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.5 ttp-105 -63.03 -48.8 77.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -45.26 -49.11 12.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.6 -36.26 83.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -63.14 -43.26 98.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.866 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -75.11 -38.12 61.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.18 -41.58 60.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -96.08 -24.5 16.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.0 -59.71 7.69 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.8 t -113.58 148.36 36.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 110.808 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.98 147.34 5.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 103.85 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.67 2.246 . . . . 0.0 112.319 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 91.7 p -126.06 -46.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.6 t -82.03 -59.47 2.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 p -144.27 162.55 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.9 p -76.8 130.54 37.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.05 130.13 5.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.452 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -111.7 118.33 35.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.925 0.393 . . . . 0.0 110.821 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 m -155.25 166.24 34.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.32 -56.83 0.49 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.09 96.82 3.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.482 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 25.8 m-85 -47.59 -47.65 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.861 ' CE1' HD22 ' A' ' 60' ' ' LEU . 31.2 m-85 -47.85 -33.83 7.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -78.4 -43.47 27.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.6 mt -56.58 -40.08 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.538 ' CD1' HD12 ' A' ' 60' ' ' LEU . 27.9 mt -83.46 -36.81 23.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.14 38.26 3.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.457 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 m -124.22 152.13 67.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 111.134 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 143.27 50.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -42.71 -36.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -101.64 44.98 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.63 145.53 31.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -84.65 152.07 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -39.83 -46.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -56.28 -48.62 76.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.61 -44.21 96.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.5 mt -61.87 -44.5 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -66.73 -46.41 75.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -62.17 -54.7 37.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.445 ' O ' HD23 ' A' ' 31' ' ' LEU . . . -49.03 -45.07 42.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.437 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 38.6 t80 -57.4 -54.83 42.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -57.34 -37.41 72.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -65.34 -54.55 27.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 27' ' ' ALA . 1.6 mm? -60.5 -47.04 87.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -49.26 -60.5 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -51.28 -37.39 47.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -66.67 -46.38 75.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -103.67 47.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 3.0 t-80 -79.05 140.55 57.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.6 Cg_endo -69.75 -19.47 36.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -70.39 -40.08 74.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 t -92.67 -17.6 24.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -97.97 52.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.816 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -60.39 -58.73 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -84.51 30.93 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.72 90.19 46.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.624 0.726 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -25.5 28.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.314 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -70.3 -41.14 73.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.78 -49.48 38.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -43.32 -32.96 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -83.82 -37.94 21.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -61.01 -43.94 98.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -61.46 -47.68 84.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 t -48.33 -42.97 32.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -65.98 -45.86 80.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.0 mt -51.64 -60.02 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -47.81 -55.56 9.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -51.81 -55.68 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -50.21 -42.59 51.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -67.78 -45.37 75.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -60.13 -38.83 84.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.607 HG13 ' HB3' ' A' ' 65' ' ' LYS . 72.8 t -75.0 -58.85 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.861 HD22 ' CE1' ' A' ' 10' ' ' TYR . 86.1 mt -54.09 -51.39 64.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 p -52.09 -46.92 65.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -71.48 115.69 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.34 -39.36 31.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.8 t -67.27 -70.04 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.607 ' HB3' HG13 ' A' ' 59' ' ' VAL . 45.9 mttp -44.19 -51.44 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -49.7 -60.57 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -47.74 -50.93 23.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -56.31 -23.0 34.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -93.71 -26.47 17.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.451 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 0.2 OUTLIER -63.43 -35.91 81.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.25 -51.59 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -65.85 -12.63 55.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.98 132.07 10.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 61.8 m -111.04 144.45 40.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.933 0.397 . . . . 0.0 110.846 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.62 83.47 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 171.87 13.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 m -82.39 107.78 15.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 t -143.88 126.79 16.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -75.64 -43.84 45.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.368 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -57.09 131.01 48.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.12 -123.0 1.31 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 p -113.73 115.62 28.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.888 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -139.44 126.72 21.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.64 -47.18 1.67 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -53.1 110.58 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -58.82 -43.09 90.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -53.96 -36.78 63.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -69.99 -41.09 74.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.56 -40.35 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' ' 60' ' ' LEU . 32.3 mt -79.82 -35.39 38.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.84 40.06 3.68 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 m -126.75 149.91 69.83 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.652 0.739 . . . . 0.0 111.113 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.78 143.59 51.23 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.731 2.287 . . . . 0.0 112.364 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -41.6 -36.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -97.18 40.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -70.19 175.13 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' GLN . 33.6 t -117.95 145.07 44.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.559 ' HA ' HD12 ' A' ' 24' ' ' ILE . 2.0 tp-100 -35.22 -48.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -58.19 -59.37 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -46.85 -40.42 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 21' ' ' GLN . 49.7 mt -60.72 -51.83 68.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -57.63 11.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.34 -51.46 14.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.36 -53.96 52.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.514 ' CD1' ' HB2' ' A' ' 57' ' ' TYR . 49.7 t80 -47.49 -45.72 26.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -65.21 -41.16 94.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.925 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -58.17 -55.23 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.6 mt -69.67 -53.07 20.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -42.47 -40.9 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -72.2 -38.77 68.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 35' ' ' TYR . 22.1 ttmt -62.46 -42.94 99.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.589 ' CD1' ' HD3' ' A' ' 49' ' ' LYS . 63.4 m-85 -107.53 36.88 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.5 t-80 -58.45 140.44 84.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.843 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.585 ' HD3' ' CE1' ' A' ' 50' ' ' PHE . 53.7 Cg_endo -69.77 -13.42 34.61 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -76.74 -39.79 50.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.2 p -79.64 -32.8 41.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.169 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.489 ' OD1' ' CB ' ' A' ' 43' ' ' ASP . 9.8 m-80 -92.55 63.95 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -50.14 87.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 40' ' ' ASN . 32.7 m-20 67.65 55.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.489 ' CB ' ' OD1' ' A' ' 40' ' ' ASN . 1.9 t70 -104.29 137.61 19.28 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.58 0.705 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -47.76 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -58.86 -38.45 78.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.47 ' HB2' ' CG ' ' A' ' 40' ' ' ASN . . . -76.5 -49.64 16.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -45.32 -48.2 13.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.44 -40.09 73.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.589 ' HD3' ' CD1' ' A' ' 35' ' ' TYR . 18.9 mttm -64.11 -66.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.585 ' CE1' ' HD3' ' A' ' 37' ' ' PRO . 4.7 t80 -42.57 -32.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.6 t -68.93 -41.13 78.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 49' ' ' LYS . 7.7 mt-30 -74.1 -35.66 64.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.81 -57.88 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.99 -44.3 78.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -63.57 -43.49 96.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.81 -54.26 37.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.514 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 64.7 t80 -60.39 -39.95 89.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -57.62 -39.96 78.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.515 HG13 ' HB3' ' A' ' 65' ' ' LYS . 66.7 t -75.03 -62.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' A' ' 13' ' ' LEU . 28.1 mt -49.84 -53.3 26.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.2 p -52.98 -26.73 16.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' GLU . 1.6 t70 -93.73 92.1 7.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 62' ' ' ASP . 7.0 pt-20 -37.55 -43.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.61 -56.1 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.515 ' HB3' HG13 ' A' ' 59' ' ' VAL . 46.9 mttt -61.44 -47.62 84.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.6 ttt-85 -48.96 -58.55 4.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -45.86 -45.01 14.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -67.29 -39.0 85.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.42 ' O ' ' N ' ' A' ' 73' ' ' GLY . 3.8 t80 -66.06 -39.58 90.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -52.11 -45.78 65.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.69 -40.92 18.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -91.25 27.12 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.963 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 69' ' ' TYR . . . -77.71 155.65 43.37 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 84.2 p -101.73 174.71 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 127.8 177.81 15.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 78' ' ' SER . 53.5 Cg_endo -69.82 -27.34 26.29 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.644 2.229 . . . . 0.0 112.336 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.2 m -41.32 96.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 76' ' ' PRO . 1.2 t 48.79 44.83 22.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 p -96.68 125.31 41.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.86 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -81.7 131.89 35.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.91 114.21 1.14 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.538 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 m -95.32 119.83 34.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 0.0 110.883 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 p -46.93 150.11 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.68 52.08 1.46 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.94 98.72 11.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.339 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.461 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 23.8 m-85 -52.95 -39.61 63.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -56.27 -27.08 54.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -83.55 -44.12 14.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.611 HD13 ' HB3' ' A' ' 52' ' ' GLN . 70.0 mt -56.9 -41.78 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.6 mt -84.75 -39.93 17.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.4 39.06 4.58 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.0 m -124.08 149.37 60.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 143.06 49.68 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.643 2.229 . . . . 0.0 112.375 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -48.34 -31.05 5.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -97.72 34.01 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.99 159.32 26.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 21' ' ' GLN . 3.7 t -98.42 148.79 23.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 20' ' ' SER . 81.7 mm-40 -37.17 -52.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -47.91 -55.49 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -50.47 -49.81 54.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.548 HD13 ' HB3' ' A' ' 60' ' ' LEU . 56.7 mt -56.42 -42.79 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -62.19 -63.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -47.06 -55.83 7.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.68 -49.81 67.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.045 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -53.7 -55.0 30.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -58.61 -45.24 89.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -51.78 -53.01 44.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' ALA . 66.4 mt -66.9 -54.83 18.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' LEU . . . -35.8 -58.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -48.92 -43.44 39.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 74.6 tttt -66.62 -44.36 82.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.498 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 88.2 m-85 -100.72 39.92 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 3.0 t-80 -75.37 140.68 72.68 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.583 0.706 . . . . 0.0 110.806 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.4 Cg_endo -69.8 -36.07 11.36 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -54.23 -45.61 72.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.8 p -82.07 -39.52 23.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -92.54 81.24 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -78.1 -71.68 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.466 ' O ' ' C ' ' A' ' 43' ' ' ASP . 69.2 m-20 -61.48 -49.23 77.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 42' ' ' ASP . 5.8 m-20 -32.67 96.04 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.581 0.705 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' ASP . 53.9 Cg_endo -69.71 -26.75 27.5 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -74.56 -33.69 62.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.75 -51.99 65.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -39.59 -53.57 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -62.44 -49.52 75.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -49.92 -61.49 2.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -46.9 -44.92 20.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 m -58.11 -42.89 86.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.611 ' HB3' HD13 ' A' ' 12' ' ' ILE . 12.0 mt-30 -65.44 -34.21 77.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.17 -59.45 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.77 -40.99 69.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.57 -43.81 88.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.461 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -64.86 -51.14 63.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.505 ' HD1' HG22 ' A' ' 24' ' ' ILE . 51.6 t80 -61.33 -44.4 97.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -56.44 -52.32 65.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.423 HG13 ' HB3' ' A' ' 65' ' ' LYS . 57.6 t -60.08 -63.21 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.548 ' HB3' HD13 ' A' ' 24' ' ' ILE . 15.8 mt -49.79 -61.19 2.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.5 p -43.37 -30.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.819 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -90.73 110.1 21.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -51.1 -31.01 17.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.1 t -73.55 -61.89 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HB3' HG13 ' A' ' 59' ' ' VAL . 58.4 mttm -51.34 -48.63 62.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.467 ' NH2' HD11 ' A' ' 24' ' ' ILE . 21.9 ttt180 -53.62 -49.55 67.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -54.34 -49.54 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -60.75 -42.2 96.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.429 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 2.8 t80 -71.43 -25.11 62.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -74.58 -32.48 62.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.16 -45.03 67.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -77.37 -24.3 50.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.07 -83.25 0.71 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.508 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.0 p -136.06 144.29 45.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.363 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.38 -178.07 47.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -33.14 17.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.7 t -56.35 159.01 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.2 m -96.46 104.72 16.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 t -126.87 146.89 50.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.915 0.388 . . . . 0.0 110.88 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 p -148.76 112.6 5.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.21 41.73 0.12 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -118.49 118.79 32.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.826 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.4 p -71.28 85.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.75 85.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -68.11 106.81 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -57.71 -37.44 73.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.405 ' CE2' ' CE2' ' A' ' 69' ' ' TYR . 73.7 m-85 -54.74 -25.47 27.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -85.88 -38.21 18.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.22 -34.96 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.2 mt -91.9 -22.14 20.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.39 39.61 10.87 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.13 152.92 64.36 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.652 0.739 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 155.82 65.0 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -11.45 13.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -123.29 38.13 4.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.49 172.77 7.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 21' ' ' GLN . 23.2 t -111.16 141.91 44.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 20' ' ' SER . 11.7 mm100 -35.85 -35.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.475 ' HE3' ' N ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -66.21 -53.71 33.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -59.61 -36.84 77.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.426 HD13 ' HB3' ' A' ' 60' ' ' LEU . 85.9 mt -61.92 -46.32 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -65.5 -58.63 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -50.89 -51.19 54.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -38.38 69.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.453 ' CG ' ' HB2' ' A' ' 57' ' ' TYR . 23.0 t80 -67.07 -60.8 2.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -54.37 -45.73 72.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -52.56 -52.8 53.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' LYS . 35.1 mt -64.77 -54.43 31.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -37.86 -53.03 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -58.51 -35.51 72.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' LEU . 35.2 tttm -71.19 -35.38 71.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -113.29 53.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 3.6 t-80 -88.2 140.61 30.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.802 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.7 -0.69 7.23 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.389 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -77.53 -61.23 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 t -81.37 -11.12 59.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -114.13 59.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -66.27 -58.09 6.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 43' ' ' ASP . 4.1 p30 -65.78 -50.56 64.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -32.89 96.18 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.608 0.718 . . . . 0.0 110.87 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 42' ' ' ASP . 53.3 Cg_endo -69.78 -25.65 28.27 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.323 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -78.02 -35.25 50.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.99 -55.72 18.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.72 -57.48 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.25 -38.88 91.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -55.94 -57.09 13.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -51.35 -48.18 62.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.2 m -49.54 -40.2 37.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -65.41 -42.21 92.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.0 mt -55.44 -63.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.71 -44.5 48.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -62.51 -32.49 73.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.11 -52.14 11.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.453 ' HB2' ' CG ' ' A' ' 28' ' ' TYR . 57.7 t80 -62.51 -44.94 95.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -53.53 -49.41 67.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.2 -62.64 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.426 ' HB3' HD13 ' A' ' 24' ' ' ILE . 14.2 mt -51.67 -60.81 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 60' ' ' LEU . 85.9 p -36.21 -47.48 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.68 119.3 21.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.7 -36.99 72.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 86.2 t -65.87 -58.38 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -59.51 -36.51 76.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.6 ttt-85 -65.46 -53.69 39.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -53.18 -38.24 62.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -75.94 -34.99 59.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.405 ' CE2' ' CE2' ' A' ' 10' ' ' TYR . 3.2 t80 -68.19 -39.8 82.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -74.31 -46.94 37.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.12 -52.77 19.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -76.03 -27.25 57.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.98 -74.38 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.2 t -110.4 142.75 41.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.392 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.56 147.73 20.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -6.42 18.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.361 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.8 t -63.03 142.41 58.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.4 t -63.9 -52.72 58.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.452 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 m -87.72 158.75 18.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 m -103.18 -44.42 5.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.04 50.93 0.87 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 m -133.07 155.63 48.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 0.0 110.879 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 p -154.28 153.64 32.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.63 -34.37 0.63 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.443 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -66.48 97.52 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.833 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.403 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 19.9 m-85 -48.73 -40.48 28.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.979 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -55.0 -36.34 65.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -76.2 -44.36 38.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.72 -42.03 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 28' ' ' TYR . 35.6 mt -86.28 -19.17 30.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.64 32.07 38.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.492 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.2 m -113.88 152.2 45.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.627 0.727 . . . . 0.0 111.103 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 152.57 69.38 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.712 2.274 . . . . 0.0 112.363 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.3 mtt-85 -59.8 -20.81 59.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -106.72 34.38 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.9 170.36 16.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' GLU . 46.8 t -119.04 148.9 42.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' SER . 12.8 mm100 -35.09 -43.85 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -59.45 -45.57 91.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' SER . 20.3 mt-10 -57.91 -51.64 68.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 3.6 mp -52.21 -36.22 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -66.38 -66.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -45.14 -50.54 11.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.3 -47.05 74.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.477 ' CB ' ' O ' ' A' ' 24' ' ' ILE . 7.3 t80 -52.08 -62.17 1.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -50.85 -51.85 47.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -43.51 -51.86 6.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.9 mt -70.45 -55.42 9.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.67 -32.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -82.33 -35.43 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -68.9 -32.93 72.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -113.08 37.38 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 8.8 t-80 -67.53 140.53 94.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.562 0.696 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.74 -9.15 25.42 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -71.52 -52.85 16.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.54 HG23 HD22 ' A' ' 40' ' ' ASN . 10.0 t -86.66 -5.88 59.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.54 HD22 HG23 ' A' ' 39' ' ' THR . 3.8 m-80 -112.67 50.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -55.08 -64.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 43' ' ' ASP . 14.7 t70 -69.72 -46.73 65.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' ASP . 2.9 m-20 -32.96 96.29 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.44 ' N ' ' O ' ' A' ' 42' ' ' ASP . 53.7 Cg_endo -69.78 -35.38 12.69 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -68.07 -39.93 82.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.77 -41.08 14.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.097 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -53.47 -35.86 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -82.88 -38.56 22.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -61.01 -48.61 81.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -57.16 -48.04 79.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.1 m -54.05 -37.64 64.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -68.22 -42.29 80.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.72 -68.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.19 -39.39 4.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 59' ' ' VAL . 9.1 tp10 -67.47 -44.04 79.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.403 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -60.05 -46.96 87.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.489 ' CE2' ' HB3' ' A' ' 61' ' ' SER . 26.1 t80 -67.61 -59.11 3.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.973 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -37.47 -37.15 0.19 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 55' ' ' GLU . 84.0 t -77.13 -63.17 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 mt -54.71 -61.51 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.489 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 46.5 p -39.7 -32.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -90.4 108.16 19.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -46.95 -36.2 7.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.1 t -68.46 -68.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HB3' HG13 ' A' ' 59' ' ' VAL . 38.1 mttp -45.08 -51.07 10.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.2 ttt-85 -50.68 -58.23 6.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -40.7 -49.56 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -65.77 -36.78 84.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -63.28 -39.08 93.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -73.89 -41.98 61.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.5 -53.06 32.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -79.76 -28.27 40.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.36 -74.63 0.32 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.5 t -112.49 150.42 31.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.903 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 144.95 70.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 153.34 68.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.238 . . . . 0.0 112.323 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.4 m -99.98 154.97 17.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 p -117.92 46.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 m 50.37 42.32 25.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -104.73 91.59 3.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.864 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.98 157.71 30.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 t -141.43 127.21 19.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.888 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -79.96 156.74 27.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.04 -44.78 2.32 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.82 124.03 29.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.411 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 24.7 m-85 -70.15 -39.59 75.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -50.77 -36.33 36.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -78.49 -47.0 18.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.5 mt -54.63 -35.46 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.511 ' CD1' HD12 ' A' ' 60' ' ' LEU . 29.4 mt -92.23 -32.95 14.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.19 33.96 7.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 m -117.65 147.57 41.21 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.641 0.734 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HG2' ' HB2' ' A' ' 19' ' ' ALA . 53.4 Cg_endo -69.76 146.9 61.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.716 2.277 . . . . 0.0 112.314 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.94 -32.48 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -106.45 42.51 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.415 ' HB2' ' HG2' ' A' ' 16' ' ' PRO . . . -80.68 152.6 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 m -82.19 146.36 29.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -41.68 -50.02 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 23' ' ' GLU . 16.0 ptmt -52.04 -50.05 62.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 10.3 tt0 -55.09 -43.0 73.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.629 HD13 ' HB3' ' A' ' 60' ' ' LEU . 95.9 mt -58.52 -47.25 88.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -65.76 -55.87 14.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -50.55 -39.39 49.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.97 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.502 ' CD2' ' CG ' ' A' ' 57' ' ' TYR . 11.1 t80 -45.91 -54.42 8.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -61.44 -52.21 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -47.36 -53.67 13.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.54 -50.05 71.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.98 -50.79 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -61.49 -35.22 77.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.491 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 4.8 tmtm? -68.48 -41.75 79.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.491 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 87.1 m-85 -106.84 47.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.3 t-80 -75.83 140.68 71.04 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.1 Cg_endo -69.78 -43.31 2.72 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.08 -43.14 60.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 p -81.96 -57.55 3.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -73.39 74.86 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -72.61 -69.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -59.95 -50.83 72.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -33.4 96.59 0.1 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 0.0 110.872 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 42' ' ' ASP . 54.6 Cg_endo -69.69 -25.73 28.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.701 2.268 . . . . 0.0 112.362 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -75.5 -41.49 55.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -44.4 -54.74 5.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -42.09 -35.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -85.71 -30.24 23.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 46' ' ' ALA . 39.8 mmtt -67.6 -44.42 78.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -63.24 -52.99 59.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -48.38 -43.23 33.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -68.11 -45.24 74.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.5 mt -50.99 -59.32 4.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.08 -57.77 5.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.505 ' O ' HG23 ' A' ' 59' ' ' VAL . 16.0 tp10 -53.3 -45.47 68.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -56.5 -47.4 79.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.502 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 47.4 t80 -66.97 -43.96 81.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -60.04 -39.18 85.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.76 HG13 ' HB3' ' A' ' 65' ' ' LYS . 77.3 t -72.96 -60.7 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.629 ' HB3' HD13 ' A' ' 24' ' ' ILE . 69.7 mt -53.59 -48.86 68.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p -49.07 -51.08 33.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -69.43 126.65 30.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -61.12 -29.75 69.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.3 t -74.67 -63.19 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.76 ' HB3' HG13 ' A' ' 59' ' ' VAL . 58.8 mttm -49.69 -38.23 32.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -66.57 -48.25 70.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -54.24 -48.47 71.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -67.84 -43.78 78.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.75 -35.85 79.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -68.54 -39.48 81.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.07 -48.38 80.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -78.01 -18.14 56.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -125.12 87.11 0.36 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -135.56 163.61 29.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.49 179.98 31.93 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 148.11 64.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.743 2.296 . . . . 0.0 112.303 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -74.15 132.37 42.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.5 p -120.83 169.04 10.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p -91.2 177.73 6.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.891 0.377 . . . . 0.0 110.831 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -101.65 103.88 14.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.59 -148.72 7.22 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -108.79 108.08 18.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -147.65 127.96 13.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.49 86.23 0.2 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.525 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -97.44 105.26 17.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -54.88 -39.17 68.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.459 ' CE2' ' CE2' ' A' ' 69' ' ' TYR . 56.1 m-85 -56.05 -30.69 62.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -81.18 -41.56 22.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.74 -40.03 81.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.438 ' CD1' HD12 ' A' ' 60' ' ' LEU . 25.5 mt -84.8 -42.51 15.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.64 42.63 2.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.71 151.08 78.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.58 0.705 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.54 51.03 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.312 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -47.6 -32.24 5.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -99.5 37.43 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.49 156.11 33.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 21' ' ' GLN . 5.7 t -95.4 141.98 28.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 61' ' ' SER . 14.8 mm100 -35.7 -45.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -53.38 -51.85 61.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -60.01 -45.13 93.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.485 HD13 ' HB3' ' A' ' 60' ' ' LEU . 87.5 mt -57.02 -45.47 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -61.66 -61.84 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.05 -55.31 10.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.57 -51.87 57.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.11 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -46.17 -54.55 8.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -63.86 -49.5 72.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -46.49 -48.35 19.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.33 -50.82 23.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.82 -62.05 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -50.04 -42.06 48.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -61.04 -39.6 90.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -109.01 42.02 1.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 20.4 t-80 -75.35 139.88 72.11 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.556 0.693 . . . . 0.0 110.871 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.9 Cg_endo -69.76 2.75 3.25 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.695 2.264 . . . . 0.0 112.33 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -82.77 -57.6 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.0 t -86.02 -6.54 59.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -116.2 52.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -59.98 -64.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 43' ' ' ASP . 12.0 p-10 -60.18 -51.82 67.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.725 ' OD2' ' HB2' ' A' ' 46' ' ' ALA . 26.0 t0 -33.27 96.48 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 42' ' ' ASP . 53.6 Cg_endo -69.84 -27.78 25.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.658 2.238 . . . . 0.0 112.352 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' ALA . 26.9 mtmt -74.53 -44.75 49.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.725 ' HB2' ' OD2' ' A' ' 43' ' ' ASP . . . -38.13 -48.44 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -41.44 -58.31 1.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.81 -46.07 90.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -51.31 -58.0 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -54.31 -48.25 71.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.5 t -52.74 -49.02 66.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -63.37 -36.21 82.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.86 -60.2 4.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.9 -54.82 20.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -54.36 -37.94 65.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.44 -51.66 64.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -61.26 -44.82 96.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -48.98 -42.09 36.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.91 -62.2 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.485 ' HB3' HD13 ' A' ' 24' ' ' ILE . 60.2 mt -52.76 -61.64 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.448 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 58.6 p -37.77 -48.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -76.16 137.75 40.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 64' ' ' VAL . 12.4 pt-20 -72.63 -44.2 62.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.422 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 54.5 t -60.6 -48.57 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -64.43 -49.02 73.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -55.66 -55.77 28.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -50.91 -43.56 59.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -67.17 -42.98 83.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.459 ' CE2' ' CE2' ' A' ' 10' ' ' TYR . 2.2 t80 -70.87 -21.77 62.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -84.57 -18.18 36.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.83 -48.91 13.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -82.54 -19.09 39.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.87 -69.08 1.46 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 91.6 p -129.18 144.02 51.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.952 0.406 . . . . 0.0 110.797 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -113.08 172.64 14.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 140.93 43.83 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.38 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 m -124.28 80.61 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.0 t -91.18 95.9 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -56.05 168.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -152.55 109.94 3.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.15 -50.43 0.4 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.541 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -60.35 141.75 55.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 m -95.87 123.39 39.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.67 57.92 4.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.45 101.14 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -52.64 -35.66 55.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -60.92 -28.24 68.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -82.63 -38.89 22.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.83 -37.06 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.499 HD23 HD12 ' A' ' 31' ' ' LEU . 25.5 mt -90.7 -19.99 22.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.05 47.99 10.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.95 150.85 76.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 111.154 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 144.02 53.0 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.1 mtt-85 -47.25 -33.62 5.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -94.18 34.37 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.05 128.88 33.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.9 t -71.44 152.53 43.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -44.1 -50.27 8.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 23' ' ' GLU . 6.2 ptmm? -48.4 -43.04 33.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 4.6 tp10 -63.99 -51.81 62.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.3 mt -53.75 -39.78 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -57.3 9.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.14 -55.16 36.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.05 -53.5 33.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -51.64 -68.2 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -44.22 -39.97 4.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -60.0 -63.57 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.719 HD23 ' HE2' ' A' ' 34' ' ' LYS . 77.1 mt -57.26 -53.31 59.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.11 -55.65 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -65.17 -34.24 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.719 ' HE2' HD23 ' A' ' 31' ' ' LEU . 28.6 ttpt -64.58 -25.71 68.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.482 ' CE2' ' HE3' ' A' ' 34' ' ' LYS . 83.3 m-85 -123.82 39.58 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 3.0 t-80 -60.33 140.64 91.58 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.588 0.709 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.75 -34.59 14.3 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.227 . . . . 0.0 112.331 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -54.71 -58.95 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.2 p -66.36 -31.49 72.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.41 ' OD1' ' CG ' ' A' ' 43' ' ' ASP . 23.5 m-80 -98.46 88.36 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -69.41 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 43' ' ' ASP . 1.3 m-20 -70.45 -45.02 66.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 42' ' ' ASP . 5.5 m-20 -32.62 95.99 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.577 0.703 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' ASP . 54.2 Cg_endo -69.72 -25.95 28.24 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.707 2.271 . . . . 0.0 112.329 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -76.3 -27.07 56.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.01 -53.53 14.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.046 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.431 ' C ' ' HD2' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -49.07 -38.32 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -76.11 -36.32 58.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -65.61 -60.88 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.455 ' CD1' ' HD3' ' A' ' 37' ' ' PRO . 38.3 t80 -43.32 -49.53 6.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.5 t -55.94 -41.46 74.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -69.57 -46.99 65.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.6 mt -52.05 -60.81 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.38 -48.6 36.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -56.63 -50.54 71.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.0 -45.79 75.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -64.81 -47.3 78.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.925 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -51.05 -50.33 58.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.837 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.9 -61.62 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.164 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' SER . 41.0 mt -53.01 -63.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 60' ' ' LEU . 24.5 p -36.82 -48.61 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -74.5 114.31 12.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.43 -42.18 70.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.3 -57.28 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -59.77 -40.56 88.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -59.0 -49.74 76.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -54.46 -48.86 71.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -64.48 -47.58 78.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -58.11 -42.95 86.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -68.09 -43.82 77.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.21 -50.86 71.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -77.71 -20.37 53.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.72 -52.49 45.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.4 p -91.33 150.47 21.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.851 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.17 83.33 1.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -24.73 29.51 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.9 t -67.02 94.37 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.3 t -68.45 -43.63 76.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.511 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -129.06 157.1 42.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 110.869 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -90.56 177.2 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.12 -137.84 18.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.8 p 39.87 40.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.867 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 m -96.83 45.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.819 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.24 57.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.429 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -93.49 106.1 18.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -58.26 -45.56 87.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -48.63 -45.1 37.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -70.86 -44.64 65.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.426 HG22 HD23 ' A' ' 53' ' ' LEU . 92.2 mt -53.39 -37.99 31.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 28' ' ' TYR . 35.7 mt -89.36 -30.77 18.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.6 38.9 5.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.9 m -124.36 151.74 66.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.03 61.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -61.66 -16.21 46.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -109.64 33.68 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.95 170.06 16.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -118.37 168.82 10.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -58.23 -29.09 65.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.37 -52.64 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -59.16 -39.19 81.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.2 mt -66.3 -36.51 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -69.58 -39.96 77.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -75.22 -43.6 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.69 81.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.457 ' HA ' HD22 ' A' ' 13' ' ' LEU . 16.0 t80 -63.66 -66.75 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -48.12 -35.59 11.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -58.75 -56.6 20.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.56 -43.55 84.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.53 -29.44 50.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -83.83 -33.2 24.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.466 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 9.5 ttmm -69.76 -29.05 66.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.466 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 95.7 m-85 -118.19 38.44 3.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.4 t-80 -71.1 140.62 85.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.9 Cg_endo -69.77 -44.21 2.2 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.298 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -52.92 -20.38 3.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.4 p -112.81 -5.52 13.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -121.59 80.44 1.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -86.58 -53.67 4.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -79.42 7.79 7.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -108.16 87.7 4.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -25.49 28.2 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -72.03 -25.18 61.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.74 -46.9 73.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -40.22 -55.68 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -68.33 -32.78 73.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -61.43 -43.45 98.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -67.26 -44.14 80.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.7 m -50.56 -41.68 54.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -67.65 -50.57 57.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.426 HD23 HG22 ' A' ' 12' ' ' ILE . 72.7 mt -48.14 -62.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.21 -50.37 38.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -57.61 -33.18 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.26 -52.56 39.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -61.72 -44.01 97.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -51.51 -47.88 63.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.7 -55.94 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.2 mt -56.36 -66.68 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.8 p -37.94 -38.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.25 113.31 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -56.18 -33.56 65.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.1 t -74.16 -60.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -50.05 -44.79 51.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.7 ttt-85 -57.04 -55.97 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -43.01 -43.27 4.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -74.52 -34.32 62.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.513 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -68.16 -30.99 70.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -73.48 -31.46 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.39 -40.57 85.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -82.0 -21.64 36.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.56 44.06 2.43 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 86.3 p -134.08 144.65 48.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.934 0.397 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.99 -162.91 0.79 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.464 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 119.59 6.51 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 t -57.86 129.75 43.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.6 p -151.61 158.59 43.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.482 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 m -124.89 86.42 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -79.89 162.06 25.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.04 177.07 20.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.523 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -97.92 42.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 m -101.85 111.99 24.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.4 93.45 0.6 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.521 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -78.28 102.89 7.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.371 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -56.3 -41.96 76.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -49.82 -28.79 6.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -84.06 -41.1 17.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.2 mt -60.49 -36.98 73.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.2 mt -88.8 -35.52 16.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.57 39.85 4.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.496 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 m -123.67 150.03 60.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 0.0 111.153 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 140.99 44.24 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.728 2.285 . . . . 0.0 112.364 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -46.08 -21.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -107.38 37.32 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.07 -177.29 4.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.047 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 21' ' ' GLN . 34.1 t -133.22 153.86 51.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' SER . 2.2 mp0 -37.37 -52.05 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -52.66 -57.21 10.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -55.8 -41.11 73.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.43 HD13 ' HB3' ' A' ' 60' ' ' LEU . 65.4 mt -63.75 -41.44 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -68.84 -57.9 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -52.16 -40.96 62.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.65 -45.94 67.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.551 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 13.2 t80 -51.83 -49.59 62.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -64.41 -42.45 96.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.973 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -53.15 -47.43 68.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.991 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.36 -54.69 8.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.23 -51.35 3.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -54.3 -41.35 68.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -67.73 -48.25 67.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -94.11 34.72 1.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.1 t-80 -73.2 139.91 79.47 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.822 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.4 Cg_endo -69.78 -28.18 25.46 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.652 2.234 . . . . 0.0 112.335 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -60.48 -51.81 67.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.5 p -78.36 -24.46 46.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -93.02 88.03 5.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -91.57 -54.53 3.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -85.3 24.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -122.64 88.64 49.82 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.656 0.741 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -25.52 28.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.72 2.28 . . . . 0.0 112.349 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HB3' ' NZ ' ' A' ' 49' ' ' LYS . 13.2 mmmt -67.45 -38.12 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.7 -39.98 8.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -52.04 -35.24 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -80.93 -43.01 20.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' NZ ' ' HB3' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -61.45 -57.95 10.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -44.51 -41.46 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 m -58.56 -41.75 86.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -71.02 -34.29 71.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.8 mt -64.16 -50.4 68.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.551 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -62.7 -51.95 65.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.549 ' O ' HG23 ' A' ' 59' ' ' VAL . 23.9 tt0 -51.62 -43.14 62.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.98 -43.42 86.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -69.26 -45.45 69.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.56 -50.3 74.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 55' ' ' GLU . 86.3 t -59.11 -61.21 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HB3' HD13 ' A' ' 24' ' ' ILE . 45.5 mt -54.1 -63.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.7 p -41.22 -37.06 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -78.96 109.45 13.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -49.85 -36.5 27.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.57 -64.67 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -46.78 -42.15 16.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -56.45 -59.66 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -44.2 -42.18 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -66.1 -40.45 90.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 73' ' ' GLY . 2.6 t80 -65.73 -48.22 72.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -42.45 -45.02 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.54 -40.17 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -89.62 27.27 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 69' ' ' TYR . . . -158.64 78.79 0.18 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.1 t -82.52 164.9 20.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.94 0.4 . . . . 0.0 110.819 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.63 160.66 14.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.21 4.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.266 . . . . 0.0 112.351 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.1 t -42.14 108.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.7 t -127.88 142.22 51.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.784 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.522 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -126.68 166.2 17.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.355 . . . . 0.0 110.854 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -58.11 142.83 45.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.25 172.37 44.39 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -76.85 131.47 38.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 110.845 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' GLY . 4.4 m -85.32 -52.22 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.22 -48.58 0.83 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -53.05 105.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -48.86 -35.23 14.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.507 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 40.1 m-85 -55.89 -33.38 64.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -77.46 -42.24 36.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.0 -36.93 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 60' ' ' LEU . 39.6 mt -89.79 -40.68 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.02 40.25 3.59 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 m -129.12 151.23 77.34 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.663 0.744 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 19' ' ' ALA . 53.5 Cg_endo -69.8 139.27 39.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.329 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.507 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 73.8 mtp180 -41.97 -34.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -96.19 39.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -75.6 164.42 26.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' GLN . 3.6 m -102.87 143.42 32.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' SER . 51.8 mm-40 -37.92 -39.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -62.5 -56.17 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -59.41 -42.92 92.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.76 -43.53 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -70.81 -52.83 18.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -53.06 -42.47 65.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.94 68.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.096 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.709 ' CD2' ' CG ' ' A' ' 57' ' ' TYR . 11.8 t80 -72.69 -52.17 16.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -61.24 -36.75 80.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -60.41 -50.16 74.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.449 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 12.2 mt -70.86 -44.34 66.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.09 -34.92 68.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -80.49 -35.94 34.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.55 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -69.65 -35.37 75.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.585 ' CD1' ' HE3' ' A' ' 49' ' ' LYS . 60.1 m-85 -114.07 30.96 6.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 8.7 t-80 -63.89 140.59 97.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.721 . . . . 0.0 110.837 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.73 -21.44 33.61 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 0.0 112.372 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.63 -2.92 25.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.8 p -131.25 -38.92 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.484 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 15.4 m-80 -97.43 65.26 1.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -86.28 -32.38 21.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -77.93 -24.59 48.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -85.38 126.02 68.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -49.66 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 48' ' ' GLU . 9.4 mmmt -47.95 -53.64 15.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.484 ' CB ' ' HB3' ' A' ' 40' ' ' ASN . . . -35.1 -38.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -61.37 -45.88 92.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 45' ' ' LYS . 5.0 tt0 -78.19 -45.03 24.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.585 ' HE3' ' CD1' ' A' ' 35' ' ' TYR . 8.1 mtpp -56.17 -44.88 79.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.484 ' CD1' ' HD3' ' A' ' 37' ' ' PRO . 28.1 t80 -59.64 -47.53 85.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 m -57.88 -48.35 80.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -61.04 -35.51 77.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.8 mt -67.91 -63.05 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -51.78 -44.47 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.39 -44.04 88.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.6 -40.89 96.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.709 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 61.6 t80 -71.82 -58.68 3.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -38.91 -29.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.441 HG22 ' HZ2' ' A' ' 65' ' ' LYS . 54.4 t -84.71 -63.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 13' ' ' LEU . 32.2 mt -53.72 -53.01 58.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.4 p -42.44 -40.69 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -86.24 122.01 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.28 -38.58 71.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 t -68.57 -68.86 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' HZ2' HG22 ' A' ' 59' ' ' VAL . 4.2 mtpm? -46.47 -32.95 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -66.57 -57.88 6.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -46.16 -42.43 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -69.06 -42.23 76.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -54.46 -41.44 69.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -75.37 -47.22 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.5 -60.6 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -68.86 -28.18 66.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.19 -171.24 0.38 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.6 p -108.19 165.58 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.878 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.72 169.83 41.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 91.97 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.706 2.27 . . . . 0.0 112.366 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -70.55 86.65 0.64 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t -76.98 125.2 28.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m -99.01 173.9 6.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.92 0.39 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -113.1 158.4 20.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.39 151.03 7.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t 39.4 37.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 m -99.85 94.07 6.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.47 44.92 1.35 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -71.65 97.2 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -49.06 -38.79 25.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -55.49 -36.18 66.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -74.04 -40.1 63.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.2 mt -59.33 -33.48 51.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.452 ' CD2' ' HA ' ' A' ' 28' ' ' TYR . 67.3 mt -92.14 -28.28 17.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.85 36.3 7.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.8 m -121.24 147.03 46.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.656 0.741 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 146.23 59.48 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.254 . . . . 0.0 112.346 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.0 -25.26 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -104.96 36.27 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.53 159.93 24.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 m -94.84 151.07 19.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.549 ' HA ' HD12 ' A' ' 24' ' ' ILE . 3.4 tp-100 -42.59 -54.28 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -47.72 -48.94 29.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -57.62 -36.56 71.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 21' ' ' GLN . 36.6 mt -66.22 -43.65 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.111 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -70.65 -41.43 72.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.22 -50.62 69.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.05 -50.93 72.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.467 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 21.7 t80 -47.25 -68.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -50.54 -46.72 57.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -53.44 -34.65 58.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 20.9 mt -88.23 -26.98 22.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.51 -63.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -53.26 -39.07 63.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 31.8 tttm -58.85 -35.38 72.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.494 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 53.6 m-85 -116.83 39.36 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.9 t-80 -64.75 140.63 98.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.56 0.695 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.4 Cg_endo -69.75 -22.95 31.43 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.382 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -57.4 -47.85 80.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t -90.96 -19.38 23.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -104.36 68.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -69.67 -70.05 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' A' ' 43' ' ' ASP . 43.3 m-20 -69.72 -44.52 70.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.828 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 42' ' ' ASP . 12.1 t0 -32.66 96.1 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.56 0.695 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' ASP . 53.2 Cg_endo -69.79 -25.67 28.21 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp -77.87 -22.86 49.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.442 ' N ' ' OD1' ' A' ' 43' ' ' ASP . . . -76.14 -55.52 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 48' ' ' GLU . 19.1 pttm -45.74 -40.96 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.474 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 2.5 tt0 -73.25 -38.38 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -61.78 -53.58 54.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -53.81 -50.36 66.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.8 m -54.55 -27.17 36.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -80.55 -52.84 7.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.9 mt -46.7 -62.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.467 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -45.64 -61.99 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -45.15 -51.66 10.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.85 -57.14 12.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -53.16 -46.42 68.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -48.95 -52.23 25.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.9 t -62.51 -62.91 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.176 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.432 ' CD1' HD12 ' A' ' 13' ' ' LEU . 40.3 mt -52.16 -65.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' LEU . 46.4 p -35.68 -53.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.466 ' CB ' ' HD2' ' A' ' 65' ' ' LYS . 9.2 t0 -72.21 108.18 5.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 64' ' ' VAL . 8.0 pt-20 -45.13 -41.12 7.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.47 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 92.8 t -62.23 -65.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.466 ' HD2' ' CB ' ' A' ' 62' ' ' ASP . 31.0 mttm -50.64 -39.65 51.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -58.85 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -43.96 -44.99 7.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -61.71 -32.89 73.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -80.8 -27.57 36.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.01 -24.97 52.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.822 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.54 -53.91 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -77.71 -26.52 50.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.8 149.98 48.68 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.0 t -99.41 138.4 36.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.972 0.415 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.37 80.17 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 159.48 53.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 0.0 112.395 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.8 p -102.25 -179.01 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 m -72.6 149.45 43.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.816 0.341 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -49.62 -43.68 46.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -49.85 -34.75 20.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -79.42 -44.24 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.21 -43.35 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 28' ' ' TYR . 32.2 mt -80.83 -39.27 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.3 36.85 3.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.466 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.1 m -123.62 154.46 66.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 154.23 67.84 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.31 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -54.88 -23.88 20.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -111.15 40.85 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.95 173.05 3.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.4 p -115.92 145.89 42.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -38.84 -44.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -61.89 -50.42 72.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -45.04 88.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.519 HD13 ' HB3' ' A' ' 60' ' ' LEU . 96.5 mt -57.52 -46.68 86.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -64.96 -57.66 8.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -52.37 -50.2 62.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.874 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.34 -56.38 21.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.413 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 18.5 t80 -40.88 -56.76 2.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -61.1 -46.84 88.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -51.14 -51.32 54.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.17 -50.86 59.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -46.16 -53.89 9.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -59.31 -35.14 73.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.402 ' C ' ' HD3' ' A' ' 34' ' ' LYS . 7.8 tmtm? -69.63 -40.76 76.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -102.97 38.44 1.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.552 0.691 . . . . 0.0 110.893 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.864 0.364 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -38.56 -35.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -79.16 -38.81 35.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 46' ' ' ALA . 24.8 mttt -61.36 -49.91 75.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.422 ' HA ' HD12 ' A' ' 53' ' ' LEU . 34.3 t80 -52.76 -49.08 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.0 m -51.34 -43.47 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -59.62 -40.35 87.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 50' ' ' PHE . 70.8 mt -57.74 -66.16 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -41.23 -52.52 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -57.54 -44.58 85.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.8 -54.38 47.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.504 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 64.5 t80 -58.0 -57.1 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 57' ' ' TYR . 29.0 tt0 -35.75 -50.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.632 HG13 ' HB3' ' A' ' 65' ' ' LYS . 54.3 t -66.83 -60.93 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.519 ' HB3' HD13 ' A' ' 24' ' ' ILE . 73.2 mt -50.8 -66.59 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.504 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 92.1 p -38.92 -28.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.7 t70 -92.26 119.69 32.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -59.44 -38.92 81.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.36 -56.11 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.632 ' HB3' HG13 ' A' ' 59' ' ' VAL . 62.1 mttt -62.16 -41.92 98.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -60.48 -47.5 85.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -57.59 -52.67 64.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -62.33 -42.85 99.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.961 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.23 -32.41 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.0 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.929 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.834 0.349 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.513 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 24.8 m-85 -59.14 -44.32 92.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -53.77 -24.09 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -89.22 -38.88 13.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.52 -33.8 63.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.542 HD12 HD12 ' A' ' 60' ' ' LEU . 32.4 mt -92.81 -29.47 15.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.93 40.2 6.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.438 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -123.93 153.84 67.54 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.711 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.488 ' HG2' ' HB2' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.68 156.81 62.58 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.4 mtt85 -63.44 -11.46 23.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -128.18 38.69 3.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.488 ' HB2' ' HG2' ' A' ' 16' ' ' PRO . . . -72.6 176.81 5.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 t -103.05 152.45 21.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -51.04 -25.14 4.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.55 -47.95 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -18.51 35.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.458 HD13 ' HB3' ' A' ' 60' ' ' LEU . 70.0 mt -83.36 -39.57 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -68.51 -49.15 61.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -59.32 -51.42 70.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.9 -49.89 72.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -52.85 -50.88 62.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -63.02 -41.19 99.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -55.62 -45.28 77.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 10.9 mt -76.71 -44.13 34.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.67 -66.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -47.85 -37.52 14.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -66.26 -39.5 89.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -109.22 39.79 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.54 0.686 . . . . 0.0 110.896 179.911 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.84 0.353 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.56 -57.49 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.33 -35.41 73.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -64.29 -44.32 92.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -58.9 -49.68 76.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.4 t -49.86 -41.33 45.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -63.44 -43.84 96.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.67 -59.59 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.26 -44.8 72.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.8 -48.42 81.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.513 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -63.36 -46.33 87.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -60.14 -44.09 95.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -54.33 -43.03 70.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.21 -62.11 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.542 HD12 HD12 ' A' ' 13' ' ' LEU . 55.1 mt -55.63 -62.52 1.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.6 p -38.25 -48.26 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -74.51 120.36 19.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -59.27 -33.38 70.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 88.3 t -71.49 -61.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -50.97 -46.84 61.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -49.82 -61.84 1.9 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -41.15 -47.46 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -64.32 -38.98 92.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -63.43 -52.08 63.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.889 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -48.28 -43.3 32.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -52.66 -34.59 52.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -79.29 -43.57 23.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.0 mt -55.83 -32.7 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 28' ' ' TYR . 28.8 mt -92.94 -28.68 16.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.03 26.56 15.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.4 m -112.88 149.39 41.18 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.605 0.717 . . . . 0.0 111.138 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 156.68 62.64 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.746 2.297 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -58.79 -26.51 64.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -104.14 43.28 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.84 158.53 16.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m -103.22 159.86 15.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.55 ' HA ' HD12 ' A' ' 24' ' ' ILE . 1.4 mp0 -42.4 -49.04 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -50.38 -56.8 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -51.98 -47.44 64.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 21' ' ' GLN . 22.4 mt -57.32 -46.55 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -58.53 -64.54 0.89 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -46.5 -49.51 18.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.28 80.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.419 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 15.3 t80 -62.9 -58.74 6.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -59.95 -34.02 72.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -62.15 -59.17 5.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 34' ' ' LYS . 3.4 mm? -57.04 -58.13 9.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.78 -61.62 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -45.55 -30.04 1.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' LEU . 41.7 tttm -75.49 -48.26 23.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -101.86 43.67 1.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 110.848 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.86 0.362 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -33.51 4.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -81.46 -33.95 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -66.87 -43.44 83.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -57.17 -52.0 67.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 p -43.65 -46.27 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -61.16 -35.83 78.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.45 -68.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.18 -41.1 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -67.62 -39.87 84.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.419 ' O ' HD12 ' A' ' 60' ' ' LEU . . . -62.72 -37.44 86.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -75.22 -45.81 37.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -51.66 -56.55 13.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 37.1 t -60.76 -61.32 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 56' ' ' ALA . 60.5 mt -50.51 -68.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' LEU . 51.1 m -37.14 -42.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.88 102.92 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -44.14 -40.48 5.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.9 -62.12 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -53.89 -35.94 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -65.55 -48.15 73.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -54.36 -49.29 70.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -69.91 -40.99 75.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -60.55 -37.63 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.0 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.883 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.807 0.337 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.414 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 22.0 m-85 -49.78 -50.96 42.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -44.75 -42.01 7.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -68.21 -39.32 82.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.07 -43.66 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.59 ' O ' HD11 ' A' ' 31' ' ' LEU . 29.6 mt -83.96 -28.43 27.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.28 32.12 17.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.6 m -116.74 148.97 43.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 142.68 48.7 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.26 . . . . 0.0 112.382 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -44.88 -37.21 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -98.64 42.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.91 129.46 34.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLU . 28.2 m -59.36 139.35 57.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -38.46 -38.48 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.96 -44.77 95.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' SER . 5.9 tp10 -60.34 -41.38 93.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.447 HD13 ' HB3' ' A' ' 60' ' ' LEU . 93.3 mt -62.94 -41.46 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.5 ttpt -69.84 -62.95 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -47.6 -41.58 22.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.47 -47.73 69.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -54.33 -48.35 71.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -64.4 -34.37 78.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.939 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -64.22 -54.96 25.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.59 HD11 ' O ' ' A' ' 13' ' ' LEU . 21.8 mt -62.31 -50.25 72.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.0 -55.96 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -57.63 -34.75 69.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.97 -31.55 66.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -111.27 36.57 3.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.572 0.701 . . . . 0.0 110.838 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.882 0.372 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -37.57 -48.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.79 -37.49 84.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -63.7 -51.78 63.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -52.87 -51.09 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.5 t -53.92 -39.84 66.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -65.85 -33.21 75.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.8 mt -68.42 -55.23 12.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.32 -52.93 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -58.04 -40.51 81.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.414 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -64.01 -38.99 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 40.5 t80 -74.72 -58.24 3.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' TYR . 24.6 tt0 -37.36 -38.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.3 t -73.62 -60.24 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.447 ' HB3' HD13 ' A' ' 24' ' ' ILE . 50.3 mt -56.44 -58.6 7.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.58 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 95.3 p -40.11 -43.38 1.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -73.49 161.75 30.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.68 -36.17 10.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.8 t -74.46 -44.28 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -67.12 -38.59 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -68.16 -49.37 61.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -56.68 -45.88 81.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -68.81 -41.22 78.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.96 -35.82 81.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.914 179.925 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.765 0.317 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.408 ' CE2' HG11 ' A' ' 59' ' ' VAL . 23.3 m-85 -49.27 -20.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -71.85 -35.19 69.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.413 ' CG ' ' N ' ' A' ' 12' ' ' ILE . 1.5 pt20 -73.36 -42.8 61.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.503 HG23 ' NE2' ' A' ' 52' ' ' GLN . 87.3 mt -55.5 -40.32 58.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.2 mt -89.24 -34.08 16.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.12 46.59 4.4 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.449 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 m -132.54 150.46 75.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.732 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 19' ' ' ALA . 54.5 Cg_endo -69.72 140.18 42.19 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.381 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 mtm-85 -41.84 -32.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -98.64 39.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -84.07 128.86 34.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 t -62.59 150.42 40.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -47.9 -37.42 14.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -60.93 -46.4 90.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -59.16 -41.07 87.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.554 HG22 ' HD1' ' A' ' 57' ' ' TYR . 56.1 mt -67.53 -39.4 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -66.97 -43.36 83.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -71.28 -50.16 35.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.06 -49.45 71.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 54' ' ' ALA . 8.8 t80 -55.16 -68.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -50.69 -42.17 56.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.951 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -58.75 -38.52 78.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 mt -75.41 -57.44 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.44 ' HB1' ' CE2' ' A' ' 50' ' ' PHE . . . -46.63 -54.74 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -51.82 -36.15 46.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -72.26 -43.94 63.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.901 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -98.16 37.77 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.831 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.896 0.379 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -44.78 -57.25 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.12 -40.07 76.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -64.55 -24.0 67.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.44 ' CE2' ' HB1' ' A' ' 32' ' ' ALA . 29.3 t80 -83.94 -37.87 21.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.6 m -69.69 -25.51 63.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.503 ' NE2' HG23 ' A' ' 12' ' ' ILE . 11.9 pt20 -82.93 -39.63 21.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.472 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 38.3 mt -55.98 -56.94 14.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 28' ' ' TYR . . . -48.17 -60.3 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -44.24 -47.88 9.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.19 -60.73 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.554 ' HD1' HG22 ' A' ' 24' ' ' ILE . 77.1 t80 -51.04 -45.65 61.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -55.87 -48.58 75.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.408 HG11 ' CE2' ' A' ' 9' ' ' TYR . 24.6 t -63.91 -57.24 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 61' ' ' SER . 63.2 mt -59.48 -62.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' LEU . 98.5 p -35.45 -52.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -68.23 137.95 55.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.71 -30.16 59.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.2 -57.86 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -57.61 -44.38 85.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -59.72 -56.17 25.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -52.42 -45.07 65.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -67.97 -36.87 80.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -65.64 -48.59 71.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.775 0.321 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.535 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 26.6 m-85 -50.42 -52.89 33.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.514 ' CE2' ' CE2' ' A' ' 69' ' ' TYR . 57.6 m-85 -43.32 -33.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.909 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -81.14 -38.55 26.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.5 mt -64.37 -46.01 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.717 HD12 HD12 ' A' ' 60' ' ' LEU . 27.1 mt -79.94 -31.72 40.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.68 36.71 7.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -119.47 154.91 54.5 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.599 0.714 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 148.15 64.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -52.24 -21.12 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -117.33 41.87 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.54 177.86 6.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.4 m -119.8 149.08 42.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -39.54 -35.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -64.68 -50.21 67.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.84 -42.36 97.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.767 HD11 ' NH2' ' A' ' 66' ' ' ARG . 42.9 mt -63.06 -40.91 90.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -67.88 -51.66 45.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -58.03 -58.11 9.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.54 -48.82 57.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.485 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 36.0 t80 -52.41 -57.76 8.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -57.88 -37.99 74.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -60.6 -39.51 88.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.601 HD13 HD21 ' A' ' 53' ' ' LEU . 54.8 mt -78.81 -54.48 6.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.652 ' HB1' ' HE1' ' A' ' 50' ' ' PHE . . . -45.62 -65.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.072 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -43.98 -41.13 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 9.3 ttmm -66.63 -39.59 88.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.451 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 59.9 m-85 -108.45 37.9 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.551 0.691 . . . . 0.0 110.843 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.843 0.354 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.74 -52.71 2.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -61.91 -43.09 99.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -56.58 -62.0 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.652 ' HE1' ' HB1' ' A' ' 32' ' ' ALA . 15.8 t80 -47.76 -51.14 23.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -46.21 -41.34 12.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -71.95 -44.45 63.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.601 HD21 HD13 ' A' ' 31' ' ' LEU . 71.1 mt -54.29 -60.82 2.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.485 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -47.64 -56.75 6.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -53.6 -41.31 66.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.535 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -61.41 -38.55 87.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -75.07 -46.19 36.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -53.96 -48.96 69.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.68 -57.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.717 HD12 HD12 ' A' ' 13' ' ' LEU . 81.9 mt -56.59 -67.37 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 60' ' ' LEU . 60.1 p -36.76 -51.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -68.46 111.87 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -49.4 -41.32 39.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.8 t -65.29 -67.64 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -47.19 -37.75 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.767 ' NH2' HD11 ' A' ' 24' ' ' ILE . 27.4 ttt180 -62.47 -54.37 41.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -49.84 -43.4 48.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -66.82 -44.04 82.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.514 ' CE2' ' CE2' ' A' ' 10' ' ' TYR . 1.3 t80 -61.02 -43.24 99.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.0 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.78 0.324 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.839 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 20.9 m-85 -49.02 -41.65 35.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -53.82 -28.57 36.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -81.66 -40.97 22.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.591 HG22 HD23 ' A' ' 53' ' ' LEU . 93.4 mt -59.47 -38.84 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.828 ' O ' HD11 ' A' ' 31' ' ' LEU . 38.4 mt -87.69 -36.97 17.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.37 44.95 3.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.88 151.47 78.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.62 0.724 . . . . 0.0 111.099 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 140.2 42.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.238 . . . . 0.0 112.317 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -46.16 -30.07 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -99.6 36.35 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.8 159.01 30.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' LYS . 18.9 t -95.62 141.08 29.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' SER . 4.0 tp-100 -37.29 -30.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' SER . 72.5 mttt -68.05 -58.56 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -50.76 -46.57 59.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.7 mt -53.71 -53.96 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 tttp -55.74 -66.81 0.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -43.31 -48.87 6.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.67 -52.07 66.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.078 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 19.5 t80 -49.56 -60.89 2.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -56.02 -53.69 53.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -47.59 -54.86 10.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.828 HD11 ' O ' ' A' ' 13' ' ' LEU . 23.6 mt -61.73 -57.62 11.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' LEU . . . -37.46 -58.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -55.82 -35.4 66.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.522 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 4.4 tmtm? -67.98 -47.45 68.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.522 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 88.4 m-85 -96.75 44.08 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.57 0.7 . . . . 0.0 110.894 179.924 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.828 0.347 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.66 -56.94 2.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -66.65 -33.67 76.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -59.86 -49.33 78.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -58.82 -52.36 66.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -50.06 -36.54 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -67.09 -44.51 79.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.591 HD23 HG22 ' A' ' 12' ' ' ILE . 80.5 mt -53.07 -59.12 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.561 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -55.57 -43.02 75.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -57.22 -47.71 80.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.839 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -65.12 -45.14 86.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.083 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -57.75 -46.84 83.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -51.86 -48.72 63.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.449 HG13 ' HB3' ' A' ' 65' ' ' LYS . 75.5 t -64.7 -57.58 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.418 ' CD1' HD12 ' A' ' 13' ' ' LEU . 25.9 mt -55.44 -63.78 1.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 81.2 p -40.89 -34.15 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.94 117.81 25.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -56.2 -42.97 78.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.64 -62.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.449 ' HB3' HG13 ' A' ' 59' ' ' VAL . 50.0 mttm -55.3 -42.18 73.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -60.61 -54.69 42.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -49.99 -43.38 50.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -68.32 -42.52 79.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.449 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -64.32 -36.27 83.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 t0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.836 0.35 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.508 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 22.8 m-85 -53.14 -40.32 64.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -53.24 -42.78 66.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -68.25 -45.06 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.531 HG22 HD23 ' A' ' 53' ' ' LEU . 88.5 mt -51.62 -39.94 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.681 ' HA ' HD22 ' A' ' 31' ' ' LEU . 27.9 mt -89.29 -30.3 18.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.74 37.99 5.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 m -119.48 151.05 50.99 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.654 0.74 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 142.35 48.07 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.74 2.293 . . . . 0.0 112.37 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.8 mtt-85 -46.52 -24.54 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -107.4 37.17 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.76 151.27 30.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 t -89.78 149.92 22.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.578 ' HA ' HD12 ' A' ' 24' ' ' ILE . 13.4 mm-40 -43.31 -47.74 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -53.5 -47.46 69.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.68 -35.55 76.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 21' ' ' GLN . 17.4 mt -64.06 -51.34 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.181 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -55.77 -55.58 30.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -54.36 -53.99 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.97 -35.7 67.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.513 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 16.6 t80 -63.12 -53.52 52.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -64.69 -27.92 69.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -68.68 -57.45 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 13' ' ' LEU . 8.0 mp -68.33 -47.63 66.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -39.96 -34.85 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -88.5 -32.87 18.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 6.7 tmtm? -65.14 -37.11 86.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 72.2 m-85 -101.93 24.22 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 121.567 0.699 . . . . 0.0 110.865 179.937 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.828 0.347 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -47.76 -59.52 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -36.25 76.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -61.13 -43.77 98.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.488 ' HA ' HD12 ' A' ' 53' ' ' LEU . 31.7 t80 -61.66 -51.66 67.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.9 p -52.51 -34.29 49.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -71.08 -39.85 71.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.531 HD23 HG22 ' A' ' 12' ' ' ILE . 55.1 mt -55.53 -63.05 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.513 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -45.09 -48.89 11.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -58.94 -51.06 71.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -54.18 -43.66 70.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -66.09 -45.41 81.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -52.91 -42.58 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.2 t -75.63 -62.04 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.495 ' CD1' HD12 ' A' ' 13' ' ' LEU . 92.7 mt -44.44 -50.47 9.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.9 p -53.69 -41.03 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -87.66 94.2 9.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -41.81 -37.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.9 t -62.41 -51.84 67.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -64.03 -36.46 84.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.5 ttp-105 -63.03 -48.8 77.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -45.26 -49.11 12.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.6 -36.26 83.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -63.14 -43.26 98.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.0 t0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.482 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 25.8 m-85 -47.59 -47.65 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.861 ' CE1' HD22 ' A' ' 60' ' ' LEU . 31.2 m-85 -47.85 -33.83 7.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -78.4 -43.47 27.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.6 mt -56.58 -40.08 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.538 ' CD1' HD12 ' A' ' 60' ' ' LEU . 27.9 mt -83.46 -36.81 23.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.14 38.26 3.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.457 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 m -124.22 152.13 67.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 111.134 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 143.27 50.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -42.71 -36.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -101.64 44.98 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.63 145.53 31.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -84.65 152.07 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -39.83 -46.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -56.28 -48.62 76.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.61 -44.21 96.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.5 mt -61.87 -44.5 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -66.73 -46.41 75.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -62.17 -54.7 37.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.445 ' O ' HD23 ' A' ' 31' ' ' LEU . . . -49.03 -45.07 42.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.437 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 38.6 t80 -57.4 -54.83 42.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -57.34 -37.41 72.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -65.34 -54.55 27.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 27' ' ' ALA . 1.6 mm? -60.5 -47.04 87.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -49.26 -60.5 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -51.28 -37.39 47.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -66.67 -46.38 75.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -103.67 47.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.862 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.886 0.374 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -43.32 -32.96 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -83.82 -37.94 21.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -61.01 -43.94 98.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -61.46 -47.68 84.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 t -48.33 -42.97 32.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -65.98 -45.86 80.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.0 mt -51.64 -60.02 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -47.81 -55.56 9.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -51.81 -55.68 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -50.21 -42.59 51.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -67.78 -45.37 75.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -60.13 -38.83 84.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.607 HG13 ' HB3' ' A' ' 65' ' ' LYS . 72.8 t -75.0 -58.85 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.861 HD22 ' CE1' ' A' ' 10' ' ' TYR . 86.1 mt -54.09 -51.39 64.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 p -52.09 -46.92 65.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -71.48 115.69 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.34 -39.36 31.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.8 t -67.27 -70.04 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.607 ' HB3' HG13 ' A' ' 59' ' ' VAL . 45.9 mttp -44.19 -51.44 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -49.7 -60.57 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -47.74 -50.93 23.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -56.31 -23.0 34.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -93.71 -26.47 17.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.451 ' OD1' ' C ' ' A' ' 70' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -58.82 -43.09 90.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -53.96 -36.78 63.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -69.99 -41.09 74.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.56 -40.35 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' ' 60' ' ' LEU . 32.3 mt -79.82 -35.39 38.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.84 40.06 3.68 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 m -126.75 149.91 69.83 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.652 0.739 . . . . 0.0 111.113 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.78 143.59 51.23 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.731 2.287 . . . . 0.0 112.364 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -41.6 -36.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -97.18 40.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -70.19 175.13 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' GLN . 33.6 t -117.95 145.07 44.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.559 ' HA ' HD12 ' A' ' 24' ' ' ILE . 4.8 tp60 -35.22 -48.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -58.19 -59.37 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -46.85 -40.42 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 21' ' ' GLN . 49.7 mt -60.72 -51.83 68.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -57.63 11.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.34 -51.46 14.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.36 -53.96 52.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.514 ' CD1' ' HB2' ' A' ' 57' ' ' TYR . 49.7 t80 -47.49 -45.72 26.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -65.21 -41.16 94.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.925 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -58.17 -55.23 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.6 mt -69.67 -53.07 20.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -42.47 -40.9 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -72.2 -38.77 68.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 35' ' ' TYR . 22.1 ttmt -62.46 -42.94 99.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.589 ' CD1' ' HD3' ' A' ' 49' ' ' LYS . 63.4 m-85 -107.53 36.88 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.843 179.921 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.879 0.371 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -45.32 -48.2 13.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.44 -40.09 73.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.589 ' HD3' ' CD1' ' A' ' 35' ' ' TYR . 18.9 mttm -64.11 -66.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -42.57 -32.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.6 t -68.93 -41.13 78.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 49' ' ' LYS . 7.7 mt-30 -74.1 -35.66 64.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.81 -57.88 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.99 -44.3 78.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -63.57 -43.49 96.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.81 -54.26 37.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.514 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 64.7 t80 -60.39 -39.95 89.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -57.62 -39.96 78.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.515 HG13 ' HB3' ' A' ' 65' ' ' LYS . 66.7 t -75.03 -62.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' A' ' 13' ' ' LEU . 28.1 mt -49.84 -53.3 26.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.2 p -52.98 -26.73 16.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' GLU . 1.6 t70 -93.73 92.1 7.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 62' ' ' ASP . 7.0 pt-20 -37.55 -43.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.61 -56.1 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.515 ' HB3' HG13 ' A' ' 59' ' ' VAL . 46.9 mttt -61.44 -47.62 84.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.6 ttt-85 -48.96 -58.55 4.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -45.86 -45.01 14.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -67.29 -39.0 85.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -66.06 -39.58 90.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.3 t0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 179.912 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.813 0.339 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.461 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 23.8 m-85 -52.95 -39.61 63.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -56.27 -27.08 54.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -83.55 -44.12 14.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.611 HD13 ' HB3' ' A' ' 52' ' ' GLN . 70.0 mt -56.9 -41.78 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.6 mt -84.75 -39.93 17.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.4 39.06 4.58 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.0 m -124.08 149.37 60.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 143.06 49.68 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.643 2.229 . . . . 0.0 112.375 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -48.34 -31.05 5.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -97.72 34.01 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.99 159.32 26.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 21' ' ' GLN . 3.7 t -98.42 148.79 23.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 20' ' ' SER . 81.7 mm-40 -37.17 -52.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -47.91 -55.49 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -50.47 -49.81 54.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.548 HD13 ' HB3' ' A' ' 60' ' ' LEU . 56.7 mt -56.42 -42.79 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -62.19 -63.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -47.06 -55.83 7.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.68 -49.81 67.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.045 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -53.7 -55.0 30.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -58.61 -45.24 89.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -51.78 -53.01 44.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' ALA . 66.4 mt -66.9 -54.83 18.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' LEU . . . -35.8 -58.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -48.92 -43.44 39.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 74.6 tttt -66.62 -44.36 82.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.498 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 88.2 m-85 -100.72 39.92 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.583 0.706 . . . . 0.0 110.806 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.852 0.358 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -39.59 -53.57 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -62.44 -49.52 75.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -49.92 -61.49 2.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -46.9 -44.92 20.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 m -58.11 -42.89 86.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.611 ' HB3' HD13 ' A' ' 12' ' ' ILE . 12.0 mt-30 -65.44 -34.21 77.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.17 -59.45 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.77 -40.99 69.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.57 -43.81 88.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.461 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -64.86 -51.14 63.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.505 ' HD1' HG22 ' A' ' 24' ' ' ILE . 51.6 t80 -61.33 -44.4 97.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -56.44 -52.32 65.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.423 HG13 ' HB3' ' A' ' 65' ' ' LYS . 57.6 t -60.08 -63.21 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.548 ' HB3' HD13 ' A' ' 24' ' ' ILE . 15.8 mt -49.79 -61.19 2.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.5 p -43.37 -30.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.819 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -90.73 110.1 21.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -51.1 -31.01 17.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.553 HG12 HE21 ' A' ' 68' ' ' GLN . 89.1 t -73.55 -61.89 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HB3' HG13 ' A' ' 59' ' ' VAL . 58.4 mttm -51.34 -48.63 62.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.467 ' NH2' HD11 ' A' ' 24' ' ' ILE . 21.9 ttt180 -53.62 -49.55 67.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -54.34 -49.54 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.553 HE21 HG12 ' A' ' 64' ' ' VAL . 73.2 mt-30 -60.75 -42.2 96.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.429 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 2.8 t80 -71.43 -25.11 62.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.894 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.766 0.317 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -57.71 -37.44 73.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.405 ' CE2' ' CE2' ' A' ' 69' ' ' TYR . 73.7 m-85 -54.74 -25.47 27.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -85.88 -38.21 18.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.22 -34.96 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.2 mt -91.9 -22.14 20.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.39 39.61 10.87 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.13 152.92 64.36 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.652 0.739 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 155.82 65.0 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -11.45 13.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -123.29 38.13 4.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.49 172.77 7.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 21' ' ' GLN . 23.2 t -111.16 141.91 44.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 20' ' ' SER . 11.7 mm100 -35.85 -35.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.475 ' N ' ' HE3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -66.21 -53.71 33.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -59.61 -36.84 77.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.426 HD13 ' HB3' ' A' ' 60' ' ' LEU . 85.9 mt -61.92 -46.32 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -65.5 -58.63 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -50.89 -51.19 54.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -38.38 69.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.453 ' CG ' ' HB2' ' A' ' 57' ' ' TYR . 23.0 t80 -67.07 -60.8 2.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -54.37 -45.73 72.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -52.56 -52.8 53.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' LYS . 35.1 mt -64.77 -54.43 31.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -37.86 -53.03 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -58.51 -35.51 72.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' LEU . 35.2 tttm -71.19 -35.38 71.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -113.29 53.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.802 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.861 0.362 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.72 -57.48 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.25 -38.88 91.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -55.94 -57.09 13.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -51.35 -48.18 62.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.2 m -49.54 -40.2 37.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -65.41 -42.21 92.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.0 mt -55.44 -63.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.71 -44.5 48.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -62.51 -32.49 73.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.11 -52.14 11.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.453 ' HB2' ' CG ' ' A' ' 28' ' ' TYR . 57.7 t80 -62.51 -44.94 95.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -53.53 -49.41 67.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.2 -62.64 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.426 ' HB3' HD13 ' A' ' 24' ' ' ILE . 14.2 mt -51.67 -60.81 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 60' ' ' LEU . 85.9 p -36.21 -47.48 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.68 119.3 21.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.7 -36.99 72.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 86.2 t -65.87 -58.38 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -59.51 -36.51 76.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.6 ttt-85 -65.46 -53.69 39.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -53.18 -38.24 62.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -75.94 -34.99 59.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.405 ' CE2' ' CE2' ' A' ' 10' ' ' TYR . 3.2 t80 -68.19 -39.8 82.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 t0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.901 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 8' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.788 0.328 . . . . 0.0 110.833 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.403 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 19.9 m-85 -48.73 -40.48 28.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.979 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -55.0 -36.34 65.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -76.2 -44.36 38.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.72 -42.03 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 28' ' ' TYR . 35.6 mt -86.28 -19.17 30.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.64 32.07 38.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.492 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.2 m -113.88 152.2 45.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.627 0.727 . . . . 0.0 111.103 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 152.57 69.38 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.712 2.274 . . . . 0.0 112.363 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.3 mtt-85 -59.8 -20.81 59.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -106.72 34.38 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.9 170.36 16.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' GLU . 46.8 t -119.04 148.9 42.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' SER . 12.8 mm100 -35.09 -43.85 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -59.45 -45.57 91.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' SER . 20.3 mt-10 -57.91 -51.64 68.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 3.6 mp -52.21 -36.22 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -66.38 -66.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -45.14 -50.54 11.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.3 -47.05 74.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.477 ' CB ' ' O ' ' A' ' 24' ' ' ILE . 7.3 t80 -52.08 -62.17 1.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -50.85 -51.85 47.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -43.51 -51.86 6.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.9 mt -70.45 -55.42 9.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.67 -32.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -82.33 -35.43 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -68.9 -32.93 72.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -113.08 37.38 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.562 0.696 . . . . 0.0 110.879 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.816 0.341 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -53.47 -35.86 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -82.88 -38.56 22.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -61.01 -48.61 81.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -57.16 -48.04 79.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.1 m -54.05 -37.64 64.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -68.22 -42.29 80.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.72 -68.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.19 -39.39 4.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 59' ' ' VAL . 9.1 tp10 -67.47 -44.04 79.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.403 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -60.05 -46.96 87.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.489 ' CE2' ' HB3' ' A' ' 61' ' ' SER . 26.1 t80 -67.61 -59.11 3.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.973 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -37.47 -37.15 0.19 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 55' ' ' GLU . 84.0 t -77.13 -63.17 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 mt -54.71 -61.51 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.489 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 46.5 p -39.7 -32.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -90.4 108.16 19.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -46.95 -36.2 7.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.1 t -68.46 -68.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HB3' HG13 ' A' ' 59' ' ' VAL . 38.1 mttp -45.08 -51.07 10.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.2 ttt-85 -50.68 -58.23 6.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -40.7 -49.56 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -65.77 -36.78 84.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -63.28 -39.08 93.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.889 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.807 0.337 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.411 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 24.7 m-85 -70.15 -39.59 75.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -50.77 -36.33 36.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -78.49 -47.0 18.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.5 mt -54.63 -35.46 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.511 ' CD1' HD12 ' A' ' 60' ' ' LEU . 29.4 mt -92.23 -32.95 14.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.19 33.96 7.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 m -117.65 147.57 41.21 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.641 0.734 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HG2' ' HB2' ' A' ' 19' ' ' ALA . 53.4 Cg_endo -69.76 146.9 61.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.716 2.277 . . . . 0.0 112.314 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.94 -32.48 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -106.45 42.51 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.415 ' HB2' ' HG2' ' A' ' 16' ' ' PRO . . . -80.68 152.6 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 m -82.19 146.36 29.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -41.68 -50.02 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 23' ' ' GLU . 16.0 ptmt -52.04 -50.05 62.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 10.3 tt0 -55.09 -43.0 73.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.629 HD13 ' HB3' ' A' ' 60' ' ' LEU . 95.9 mt -58.52 -47.25 88.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -65.76 -55.87 14.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -50.55 -39.39 49.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.97 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.502 ' CD2' ' CG ' ' A' ' 57' ' ' TYR . 11.1 t80 -45.91 -54.42 8.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -61.44 -52.21 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -47.36 -53.67 13.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.54 -50.05 71.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.98 -50.79 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -61.49 -35.22 77.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.491 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 4.8 tmtm? -68.48 -41.75 79.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.491 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 87.1 m-85 -106.84 47.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 110.851 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.821 0.343 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -42.09 -35.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -85.71 -30.24 23.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 46' ' ' ALA . 39.8 mmtt -67.6 -44.42 78.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -63.24 -52.99 59.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -48.38 -43.23 33.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -68.11 -45.24 74.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.5 mt -50.99 -59.32 4.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.08 -57.77 5.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.505 ' O ' HG23 ' A' ' 59' ' ' VAL . 16.0 tp10 -53.3 -45.47 68.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -56.5 -47.4 79.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.502 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 47.4 t80 -66.97 -43.96 81.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -60.04 -39.18 85.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.76 HG13 ' HB3' ' A' ' 65' ' ' LYS . 77.3 t -72.96 -60.7 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.629 ' HB3' HD13 ' A' ' 24' ' ' ILE . 69.7 mt -53.59 -48.86 68.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p -49.07 -51.08 33.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -69.43 126.65 30.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -61.12 -29.75 69.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.3 t -74.67 -63.19 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.76 ' HB3' HG13 ' A' ' 59' ' ' VAL . 58.8 mttm -49.69 -38.23 32.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -66.57 -48.25 70.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -54.24 -48.47 71.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -67.84 -43.78 78.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.75 -35.85 79.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.892 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.806 0.336 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -54.88 -39.17 68.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.459 ' CE2' ' CE2' ' A' ' 69' ' ' TYR . 56.1 m-85 -56.05 -30.69 62.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -81.18 -41.56 22.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.74 -40.03 81.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.438 ' CD1' HD12 ' A' ' 60' ' ' LEU . 25.5 mt -84.8 -42.51 15.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.64 42.63 2.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.71 151.08 78.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.58 0.705 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.54 51.03 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.312 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -47.6 -32.24 5.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -99.5 37.43 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.49 156.11 33.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 21' ' ' GLN . 5.7 t -95.4 141.98 28.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' SER . 27.2 mm-40 -35.7 -45.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -53.38 -51.85 61.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -60.01 -45.13 93.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.485 HD13 ' HB3' ' A' ' 60' ' ' LEU . 87.5 mt -57.02 -45.47 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -61.66 -61.84 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.05 -55.31 10.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.57 -51.87 57.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.11 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -46.17 -54.55 8.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -63.86 -49.5 72.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -46.49 -48.35 19.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.33 -50.82 23.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.82 -62.05 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -50.04 -42.06 48.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -61.04 -39.6 90.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -109.01 42.02 1.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 121.556 0.693 . . . . 0.0 110.871 179.92 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.863 0.363 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -41.44 -58.31 1.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.81 -46.07 90.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -51.31 -58.0 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -54.31 -48.25 71.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.5 t -52.74 -49.02 66.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -63.37 -36.21 82.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.86 -60.2 4.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.9 -54.82 20.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -54.36 -37.94 65.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.44 -51.66 64.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -61.26 -44.82 96.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -48.98 -42.09 36.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.91 -62.2 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.485 ' HB3' HD13 ' A' ' 24' ' ' ILE . 60.2 mt -52.76 -61.64 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 60' ' ' LEU . 58.6 p -37.77 -48.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -76.16 137.75 40.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 64' ' ' VAL . 12.4 pt-20 -72.63 -44.2 62.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.422 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 54.5 t -60.6 -48.57 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -64.43 -49.02 73.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -55.66 -55.77 28.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -50.91 -43.56 59.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -67.17 -42.98 83.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.459 ' CE2' ' CE2' ' A' ' 10' ' ' TYR . 2.2 t80 -70.87 -21.77 62.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.903 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.861 0.362 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -52.64 -35.66 55.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -60.92 -28.24 68.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -82.63 -38.89 22.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.83 -37.06 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.499 HD23 HD12 ' A' ' 31' ' ' LEU . 25.5 mt -90.7 -19.99 22.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.05 47.99 10.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.95 150.85 76.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 111.154 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 144.02 53.0 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.1 mtt-85 -47.25 -33.62 5.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -94.18 34.37 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.05 128.88 33.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.9 t -71.44 152.53 43.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -44.1 -50.27 8.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 23' ' ' GLU . 6.2 ptmm? -48.4 -43.04 33.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 4.6 tp10 -63.99 -51.81 62.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.3 mt -53.75 -39.78 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -57.3 9.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.14 -55.16 36.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.05 -53.5 33.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -51.64 -68.2 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -44.22 -39.97 4.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -60.0 -63.57 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.719 HD23 ' HE2' ' A' ' 34' ' ' LYS . 77.1 mt -57.26 -53.31 59.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.11 -55.65 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -65.17 -34.24 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.719 ' HE2' HD23 ' A' ' 31' ' ' LEU . 28.6 ttpt -64.58 -25.71 68.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.482 ' CE2' ' HE3' ' A' ' 34' ' ' LYS . 83.3 m-85 -123.82 39.58 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 121.588 0.709 . . . . 0.0 110.869 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.862 0.363 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.431 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -49.07 -38.32 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -76.11 -36.32 58.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -65.61 -60.88 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -43.32 -49.53 6.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.5 t -55.94 -41.46 74.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -69.57 -46.99 65.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.6 mt -52.05 -60.81 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.38 -48.6 36.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -56.63 -50.54 71.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.0 -45.79 75.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -64.81 -47.3 78.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.925 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -51.05 -50.33 58.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.837 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.9 -61.62 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.164 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' SER . 41.0 mt -53.01 -63.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 60' ' ' LEU . 24.5 p -36.82 -48.61 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -74.5 114.31 12.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.43 -42.18 70.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.3 -57.28 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -59.77 -40.56 88.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -59.0 -49.74 76.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -54.46 -48.86 71.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -64.48 -47.58 78.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -58.11 -42.95 86.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.805 0.336 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -58.26 -45.56 87.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -48.63 -45.1 37.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -70.86 -44.64 65.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.426 HG22 HD23 ' A' ' 53' ' ' LEU . 92.2 mt -53.39 -37.99 31.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 28' ' ' TYR . 35.7 mt -89.36 -30.77 18.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.6 38.9 5.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.9 m -124.36 151.74 66.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.03 61.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -61.66 -16.21 46.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -109.64 33.68 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.95 170.06 16.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -118.37 168.82 10.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -58.23 -29.09 65.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.37 -52.64 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -59.16 -39.19 81.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.2 mt -66.3 -36.51 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -69.58 -39.96 77.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -75.22 -43.6 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.69 81.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.457 ' HA ' HD22 ' A' ' 13' ' ' LEU . 16.0 t80 -63.66 -66.75 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -48.12 -35.59 11.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -58.75 -56.6 20.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.56 -43.55 84.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.53 -29.44 50.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -83.83 -33.2 24.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.466 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 9.5 ttmm -69.76 -29.05 66.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.466 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 95.7 m-85 -118.19 38.44 3.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 110.881 179.923 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.876 0.369 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -40.22 -55.68 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -68.33 -32.78 73.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -61.43 -43.45 98.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -67.26 -44.14 80.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.7 m -50.56 -41.68 54.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -67.65 -50.57 57.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.426 HD23 HG22 ' A' ' 12' ' ' ILE . 72.7 mt -48.14 -62.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.21 -50.37 38.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -57.61 -33.18 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.26 -52.56 39.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -61.72 -44.01 97.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -51.51 -47.88 63.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.7 -55.94 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.2 mt -56.36 -66.68 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.8 p -37.94 -38.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.25 113.31 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -56.18 -33.56 65.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.1 t -74.16 -60.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -50.05 -44.79 51.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.7 ttt-85 -57.04 -55.97 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -43.01 -43.27 4.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -74.52 -34.32 62.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.513 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -68.16 -30.99 70.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.7 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.907 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.878 0.371 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -56.3 -41.96 76.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -49.82 -28.79 6.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -84.06 -41.1 17.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.2 mt -60.49 -36.98 73.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.2 mt -88.8 -35.52 16.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.57 39.85 4.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.496 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 m -123.67 150.03 60.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 0.0 111.153 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 140.99 44.24 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.728 2.285 . . . . 0.0 112.364 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -46.08 -21.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -107.38 37.32 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.07 -177.29 4.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.047 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 21' ' ' GLN . 34.1 t -133.22 153.86 51.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' SER . 2.6 mp0 -37.37 -52.05 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -52.66 -57.21 10.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -55.8 -41.11 73.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.43 HD13 ' HB3' ' A' ' 60' ' ' LEU . 65.4 mt -63.75 -41.44 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -68.84 -57.9 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -52.16 -40.96 62.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.65 -45.94 67.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.551 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 13.2 t80 -51.83 -49.59 62.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -64.41 -42.45 96.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.973 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -53.15 -47.43 68.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.991 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.36 -54.69 8.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.23 -51.35 3.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -54.3 -41.35 68.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -67.73 -48.25 67.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -94.11 34.72 1.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.822 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.818 0.342 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -52.04 -35.24 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -80.93 -43.01 20.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.45 -57.95 10.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -44.51 -41.46 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 m -58.56 -41.75 86.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -71.02 -34.29 71.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.8 mt -64.16 -50.4 68.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.551 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -62.7 -51.95 65.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.549 ' O ' HG23 ' A' ' 59' ' ' VAL . 23.9 tt0 -51.62 -43.14 62.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.98 -43.42 86.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -69.26 -45.45 69.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.56 -50.3 74.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 55' ' ' GLU . 86.3 t -59.11 -61.21 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HB3' HD13 ' A' ' 24' ' ' ILE . 45.5 mt -54.1 -63.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.7 p -41.22 -37.06 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -78.96 109.45 13.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -49.85 -36.5 27.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.57 -64.67 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -46.78 -42.15 16.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -56.45 -59.66 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -44.2 -42.18 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -66.1 -40.45 90.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -65.73 -48.22 72.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -48.86 -35.23 14.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.507 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 40.1 m-85 -55.89 -33.38 64.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -77.46 -42.24 36.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.0 -36.93 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 60' ' ' LEU . 39.6 mt -89.79 -40.68 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.02 40.25 3.59 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 m -129.12 151.23 77.34 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.663 0.744 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 19' ' ' ALA . 53.5 Cg_endo -69.8 139.27 39.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.329 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.507 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 73.8 mtp180 -41.97 -34.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -96.19 39.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -75.6 164.42 26.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' GLN . 3.6 m -102.87 143.42 32.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' SER . 51.8 mm-40 -37.92 -39.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -62.5 -56.17 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -59.41 -42.92 92.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.76 -43.53 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -70.81 -52.83 18.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -53.06 -42.47 65.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.94 68.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.096 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.709 ' CD2' ' CG ' ' A' ' 57' ' ' TYR . 11.8 t80 -72.69 -52.17 16.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -61.24 -36.75 80.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -60.41 -50.16 74.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.449 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 12.2 mt -70.86 -44.34 66.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.09 -34.92 68.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -80.49 -35.94 34.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.55 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -69.65 -35.37 75.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.585 ' CD1' ' HE3' ' A' ' 49' ' ' LYS . 60.1 m-85 -114.07 30.96 6.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.721 . . . . 0.0 110.837 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.886 0.375 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -61.37 -45.88 92.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -78.19 -45.03 24.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.585 ' HE3' ' CD1' ' A' ' 35' ' ' TYR . 8.1 mtpp -56.17 -44.88 79.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -59.64 -47.53 85.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 m -57.88 -48.35 80.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -61.04 -35.51 77.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.8 mt -67.91 -63.05 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -51.78 -44.47 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.39 -44.04 88.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.6 -40.89 96.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.709 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 61.6 t80 -71.82 -58.68 3.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -38.91 -29.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.441 HG22 ' HZ2' ' A' ' 65' ' ' LYS . 54.4 t -84.71 -63.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 13' ' ' LEU . 32.2 mt -53.72 -53.01 58.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.4 p -42.44 -40.69 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -86.24 122.01 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.28 -38.58 71.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 t -68.57 -68.86 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.441 ' HZ2' HG22 ' A' ' 59' ' ' VAL . 4.2 mtpm? -46.47 -32.95 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -66.57 -57.88 6.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -46.16 -42.43 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -69.06 -42.23 76.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -54.46 -41.44 69.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.6 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.902 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -49.06 -38.79 25.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -55.49 -36.18 66.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -74.04 -40.1 63.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.2 mt -59.33 -33.48 51.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.452 ' CD2' ' HA ' ' A' ' 28' ' ' TYR . 67.3 mt -92.14 -28.28 17.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.85 36.3 7.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.8 m -121.24 147.03 46.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.656 0.741 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 146.23 59.48 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.254 . . . . 0.0 112.346 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.0 -25.26 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -104.96 36.27 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.53 159.93 24.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 m -94.84 151.07 19.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.549 ' HA ' HD12 ' A' ' 24' ' ' ILE . 3.4 tp-100 -42.59 -54.28 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -47.72 -48.94 29.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -57.62 -36.56 71.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 21' ' ' GLN . 36.6 mt -66.22 -43.65 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.111 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -70.65 -41.43 72.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.22 -50.62 69.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.05 -50.93 72.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.467 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 21.7 t80 -47.25 -68.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -50.54 -46.72 57.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -53.44 -34.65 58.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 20.9 mt -88.23 -26.98 22.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.51 -63.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -53.26 -39.07 63.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 31.8 tttm -58.85 -35.38 72.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.494 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 53.6 m-85 -116.83 39.36 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.56 0.695 . . . . 0.0 110.856 179.947 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.837 0.351 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 48' ' ' GLU . 19.1 pttm -45.74 -40.96 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.474 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 2.5 tt0 -73.25 -38.38 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -61.78 -53.58 54.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -53.81 -50.36 66.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.8 m -54.55 -27.17 36.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -80.55 -52.84 7.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.9 mt -46.7 -62.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.467 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -45.64 -61.99 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -45.15 -51.66 10.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.85 -57.14 12.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -53.16 -46.42 68.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -48.95 -52.23 25.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.9 t -62.51 -62.91 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.176 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.432 ' CD1' HD12 ' A' ' 13' ' ' LEU . 40.3 mt -52.16 -65.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' LEU . 46.4 p -35.68 -53.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.466 ' CB ' ' HD2' ' A' ' 65' ' ' LYS . 9.2 t0 -72.21 108.18 5.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 64' ' ' VAL . 8.0 pt-20 -45.13 -41.12 7.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.47 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 92.8 t -62.23 -65.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.466 ' HD2' ' CB ' ' A' ' 62' ' ' ASP . 31.0 mttm -50.64 -39.65 51.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -58.85 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -43.96 -44.99 7.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -61.71 -32.89 73.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -80.8 -27.57 36.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.822 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -80.42 115.63 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.39 . . . . 0.0 110.86 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.8 p -60.13 108.54 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.38 92.4 2.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 p -93.68 141.15 28.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.379 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -141.67 120.62 12.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.88 -46.04 0.94 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -68.24 104.16 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -49.62 -43.68 46.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -49.85 -34.75 20.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -79.42 -44.24 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.21 -43.35 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 28' ' ' TYR . 32.2 mt -80.83 -39.27 26.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.3 36.85 3.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.466 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.1 m -123.62 154.46 66.61 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 154.23 67.84 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.31 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -54.88 -23.88 20.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -111.15 40.85 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.95 173.05 3.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.4 p -115.92 145.89 42.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -38.84 -44.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 tppt? -61.89 -50.42 72.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -45.04 88.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.519 HD13 ' HB3' ' A' ' 60' ' ' LEU . 96.5 mt -57.52 -46.68 86.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -64.96 -57.66 8.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -52.37 -50.2 62.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.874 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.34 -56.38 21.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.413 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 18.5 t80 -40.88 -56.76 2.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -61.1 -46.84 88.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -51.14 -51.32 54.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.17 -50.86 59.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -46.16 -53.89 9.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -59.31 -35.14 73.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' C ' ' HD3' ' A' ' 34' ' ' LYS . 7.8 tmtm? -69.63 -40.76 76.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -102.97 38.44 1.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.608 ' HB3' HG22 ' A' ' 39' ' ' THR . 2.0 t-80 -68.77 140.63 91.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.552 0.691 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.542 ' HD2' ' CD2' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.79 -26.28 27.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.62 2.213 . . . . 0.0 112.35 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.35 -58.02 5.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.608 HG22 ' HB3' ' A' ' 36' ' ' HIS . 6.8 t -64.24 -32.09 73.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -88.43 84.6 6.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -84.65 -52.41 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -89.37 32.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -130.45 85.67 55.67 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.561 0.696 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -25.63 28.77 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.722 2.281 . . . . 0.0 112.359 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -72.2 -37.84 69.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -49.57 -53.59 22.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -38.56 -35.74 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -79.16 -38.81 35.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 46' ' ' ALA . 24.8 mttt -61.36 -49.91 75.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.422 ' HA ' HD12 ' A' ' 53' ' ' LEU . 34.3 t80 -52.76 -49.08 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.0 m -51.34 -43.47 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -59.62 -40.35 87.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 50' ' ' PHE . 70.8 mt -57.74 -66.16 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -41.23 -52.52 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -57.54 -44.58 85.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.8 -54.38 47.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.504 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 64.5 t80 -58.0 -57.1 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 57' ' ' TYR . 29.0 tt0 -35.75 -50.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.632 HG13 ' HB3' ' A' ' 65' ' ' LYS . 54.3 t -66.83 -60.93 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.519 ' HB3' HD13 ' A' ' 24' ' ' ILE . 73.2 mt -50.8 -66.59 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.504 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 92.1 p -38.92 -28.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 60' ' ' LEU . 1.7 t70 -92.26 119.69 32.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -59.44 -38.92 81.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.36 -56.11 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.632 ' HB3' HG13 ' A' ' 59' ' ' VAL . 62.1 mttt -62.16 -41.92 98.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -60.48 -47.5 85.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -57.59 -52.67 64.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -62.33 -42.85 99.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.961 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.23 -32.41 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -57.57 -36.64 71.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.0 -41.76 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -87.74 20.57 2.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -98.1 56.91 1.08 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -114.75 147.16 40.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -107.85 83.47 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -11.39 30.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 78' ' ' SER . 8.9 m -52.42 107.9 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 77' ' ' SER . 86.8 p -34.5 142.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.49 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 p -52.61 -16.33 0.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.886 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -132.74 137.18 46.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.28 174.55 30.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 p -81.13 159.57 24.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 p -65.97 89.64 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.5 -52.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.36 108.66 2.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.349 . . . . 0.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.513 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 24.8 m-85 -59.14 -44.32 92.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -53.77 -24.09 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -89.22 -38.88 13.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.52 -33.8 63.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.542 HD12 HD12 ' A' ' 60' ' ' LEU . 32.4 mt -92.81 -29.47 15.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.93 40.2 6.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.438 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -123.93 153.84 67.54 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.711 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.488 ' HG2' ' HB2' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.68 156.81 62.58 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.365 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.4 mtt85 -63.44 -11.46 23.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -128.18 38.69 3.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.488 ' HB2' ' HG2' ' A' ' 16' ' ' PRO . . . -72.6 176.81 5.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 t -103.05 152.45 21.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -51.04 -25.14 4.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.55 -47.95 13.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -18.51 35.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.458 HD13 ' HB3' ' A' ' 60' ' ' LEU . 70.0 mt -83.36 -39.57 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -68.51 -49.15 61.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -59.32 -51.42 70.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.9 -49.89 72.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -52.85 -50.88 62.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -63.02 -41.19 99.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -55.62 -45.28 77.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 10.9 mt -76.71 -44.13 34.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.67 -66.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -47.85 -37.52 14.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -66.26 -39.5 89.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -109.22 39.79 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.508 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.7 t-80 -80.59 140.46 51.54 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.54 0.686 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.508 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.73 -30.06 23.04 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.706 2.27 . . . . 0.0 112.318 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.588 ' OD1' HG23 ' A' ' 39' ' ' THR . 0.8 OUTLIER -68.78 -17.54 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.588 HG23 ' OD1' ' A' ' 38' ' ' ASP . 31.4 p -114.49 -11.38 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -111.98 59.14 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -64.12 -47.15 81.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -90.91 21.4 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -130.03 86.01 55.75 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.637 0.732 . . . . 0.0 110.835 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -31.57 20.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.628 2.219 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -61.96 -26.42 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.26 98.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.08 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.56 -57.49 3.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.33 -35.41 73.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -64.29 -44.32 92.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -58.9 -49.68 76.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.4 t -49.86 -41.33 45.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -63.44 -43.84 96.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.67 -59.59 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.26 -44.8 72.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.8 -48.42 81.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.513 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -63.36 -46.33 87.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -60.14 -44.09 95.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -54.33 -43.03 70.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.21 -62.11 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.542 HD12 HD12 ' A' ' 13' ' ' LEU . 55.1 mt -55.63 -62.52 1.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.6 p -38.25 -48.26 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -74.51 120.36 19.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -59.27 -33.38 70.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 88.3 t -71.49 -61.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -50.97 -46.84 61.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -49.82 -61.84 1.9 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -41.15 -47.46 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -64.32 -38.98 92.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -63.43 -52.08 63.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -57.31 -49.04 77.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.57 -59.85 3.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -64.49 -25.44 68.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.78 81.05 0.52 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.529 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 t -92.67 141.61 28.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.954 0.407 . . . . 0.0 110.836 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.91 175.75 15.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -9.0 25.05 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.34 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.8 p 46.94 44.22 14.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t -133.09 162.66 31.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 m -151.3 113.35 4.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -49.87 112.59 0.68 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.93 105.79 1.68 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -66.46 172.59 3.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 m -118.95 -50.34 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.25 59.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.17 97.81 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -48.28 -43.3 32.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -52.66 -34.59 52.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -79.29 -43.57 23.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.0 mt -55.83 -32.7 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 28' ' ' TYR . 28.8 mt -92.94 -28.68 16.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.03 26.56 15.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.4 m -112.88 149.39 41.18 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.605 0.717 . . . . 0.0 111.138 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 156.68 62.64 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.746 2.297 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -58.79 -26.51 64.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -104.14 43.28 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.84 158.53 16.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.3 m -103.22 159.86 15.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.55 ' HA ' HD12 ' A' ' 24' ' ' ILE . 1.4 mp0 -42.4 -49.04 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -50.38 -56.8 9.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -51.98 -47.44 64.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 21' ' ' GLN . 22.4 mt -57.32 -46.55 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -58.53 -64.54 0.89 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -46.5 -49.51 18.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.28 80.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.419 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 15.3 t80 -62.9 -58.74 6.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -59.95 -34.02 72.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -62.15 -59.17 5.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 34' ' ' LYS . 3.4 mm? -57.04 -58.13 9.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.78 -61.62 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -45.55 -30.04 1.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' LEU . 41.7 tttm -75.49 -48.26 23.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -101.86 43.67 1.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.3 t-80 -77.71 140.6 63.59 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 110.848 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.72 -10.07 27.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.742 2.295 . . . . 0.0 112.318 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -77.04 -47.8 19.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 t -87.88 -10.35 50.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.206 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -105.19 77.03 1.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -81.76 -57.65 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -84.82 27.83 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -126.43 85.62 59.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -25.25 28.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.326 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -69.88 -34.53 73.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.23 -46.43 72.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -33.51 4.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -81.46 -33.95 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -66.87 -43.44 83.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -57.17 -52.0 67.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 p -43.65 -46.27 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -61.16 -35.83 78.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.45 -68.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.18 -41.1 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -67.62 -39.87 84.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.419 ' O ' HD12 ' A' ' 60' ' ' LEU . . . -62.72 -37.44 86.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -75.22 -45.81 37.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -51.66 -56.55 13.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 37.1 t -60.76 -61.32 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 56' ' ' ALA . 60.5 mt -50.51 -68.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' LEU . 51.1 m -37.14 -42.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.88 102.92 7.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -44.14 -40.48 5.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.9 -62.12 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -53.89 -35.94 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -65.55 -48.15 73.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -54.36 -49.29 70.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -69.91 -40.99 75.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -60.55 -37.63 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -71.02 -40.22 71.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.67 -56.6 17.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -76.21 -15.45 60.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -53.42 -74.06 0.34 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.4 m -124.27 174.04 7.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.67 146.66 18.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 77' ' ' SER . 53.3 Cg_endo -69.74 -47.51 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 76' ' ' PRO . 80.1 p -35.92 -51.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.3 p -93.35 -70.11 0.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -66.59 81.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.83 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 t -100.11 105.44 17.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.08 -58.55 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.562 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.0 t -47.83 -43.86 28.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.378 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 m 49.9 45.63 24.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.41 95.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.535 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -90.63 101.85 14.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.414 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 22.0 m-85 -49.78 -50.96 42.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -44.75 -42.01 7.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -68.21 -39.32 82.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.07 -43.66 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.59 ' O ' HD11 ' A' ' 31' ' ' LEU . 29.6 mt -83.96 -28.43 27.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.28 32.12 17.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.6 m -116.74 148.97 43.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 142.68 48.7 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.26 . . . . 0.0 112.382 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -44.88 -37.21 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -98.64 42.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.91 129.46 34.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLU . 28.2 m -59.36 139.35 57.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -38.46 -38.48 0.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.96 -44.77 95.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' SER . 5.9 tp10 -60.34 -41.38 93.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.447 HD13 ' HB3' ' A' ' 60' ' ' LEU . 93.3 mt -62.94 -41.46 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.5 ttpt -69.84 -62.95 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -47.6 -41.58 22.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.47 -47.73 69.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -54.33 -48.35 71.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -64.4 -34.37 78.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.939 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -64.22 -54.96 25.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.59 HD11 ' O ' ' A' ' 13' ' ' LEU . 21.8 mt -62.31 -50.25 72.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.0 -55.96 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -57.63 -34.75 69.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.97 -31.55 66.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -111.27 36.57 3.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.1 t-80 -76.71 140.5 67.7 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.572 0.701 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.72 -39.28 6.78 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 2.264 . . . . 0.0 112.385 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -53.64 -34.54 58.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.4 p -96.95 -10.93 25.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -112.27 72.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -78.96 -51.06 10.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -82.4 16.58 2.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -120.06 86.64 37.55 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.555 0.693 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -25.48 28.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.644 2.229 . . . . 0.0 112.373 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -71.2 -37.75 72.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -44.79 -51.02 9.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -37.57 -48.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.79 -37.49 84.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -63.7 -51.78 63.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -52.87 -51.09 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.5 t -53.92 -39.84 66.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -65.85 -33.21 75.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 70.8 mt -68.42 -55.23 12.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.32 -52.93 61.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -58.04 -40.51 81.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.414 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -64.01 -38.99 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 40.5 t80 -74.72 -58.24 3.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' TYR . 24.6 tt0 -37.36 -38.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.3 t -73.62 -60.24 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' HB3' HD13 ' A' ' 24' ' ' ILE . 50.3 mt -56.44 -58.6 7.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.58 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 95.3 p -40.11 -43.38 1.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -73.49 161.75 30.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -96.68 -36.17 10.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.8 t -74.46 -44.28 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -67.12 -38.59 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -68.16 -49.37 61.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -56.68 -45.88 81.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -68.81 -41.22 78.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.96 -35.82 81.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.46 -39.57 73.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.84 -49.62 7.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -84.86 27.8 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.78 -70.15 1.14 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.425 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 65.7 m -116.89 149.01 40.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.951 0.405 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.92 150.44 24.06 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 91.86 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.649 2.232 . . . . 0.0 112.359 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.3 m -65.93 129.57 40.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -65.52 168.36 7.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.538 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -133.89 136.19 44.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.935 0.397 . . . . 0.0 110.828 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -108.55 172.53 6.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.79 -133.1 6.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -48.11 142.05 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.869 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 p -158.69 -178.45 7.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.842 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.65 40.95 3.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -82.2 110.05 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.765 0.317 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.408 ' CE2' HG11 ' A' ' 59' ' ' VAL . 23.3 m-85 -49.27 -20.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -71.85 -35.19 69.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.413 ' CG ' ' N ' ' A' ' 12' ' ' ILE . 1.5 pt20 -73.36 -42.8 61.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.503 HG23 ' NE2' ' A' ' 52' ' ' GLN . 87.3 mt -55.5 -40.32 58.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.2 mt -89.24 -34.08 16.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.12 46.59 4.4 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.449 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 m -132.54 150.46 75.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.732 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 19' ' ' ALA . 54.5 Cg_endo -69.72 140.18 42.19 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.381 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 mtm-85 -41.84 -32.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -98.64 39.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -84.07 128.86 34.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 t -62.59 150.42 40.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -47.9 -37.42 14.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -60.93 -46.4 90.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -59.16 -41.07 87.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.554 HG22 ' HD1' ' A' ' 57' ' ' TYR . 56.1 mt -67.53 -39.4 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -66.97 -43.36 83.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -71.28 -50.16 35.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.06 -49.45 71.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 54' ' ' ALA . 8.8 t80 -55.16 -68.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -50.69 -42.17 56.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.951 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -58.75 -38.52 78.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 mt -75.41 -57.44 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.44 ' HB1' ' CE2' ' A' ' 50' ' ' PHE . . . -46.63 -54.74 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -51.82 -36.15 46.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -72.26 -43.94 63.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.901 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -98.16 37.77 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 5.5 t-80 -73.57 140.31 78.58 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 0.0 110.831 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.75 -24.58 29.56 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.0 -46.28 82.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.6 p -82.91 -19.03 38.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.418 ' OD1' ' CB ' ' A' ' 43' ' ' ASP . 16.0 m-80 -98.5 90.34 4.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm -89.77 -30.65 17.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -115.2 30.07 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.418 ' CB ' ' OD1' ' A' ' 40' ' ' ASN . 8.0 t0 -129.25 86.34 56.92 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.63 0.728 . . . . 0.0 110.838 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -25.65 28.43 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.701 2.268 . . . . 0.0 112.334 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -70.68 -40.13 73.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -47.68 -44.99 27.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -44.78 -57.25 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -57.12 -40.07 76.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -64.55 -24.0 67.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.44 ' CE2' ' HB1' ' A' ' 32' ' ' ALA . 29.3 t80 -83.94 -37.87 21.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.6 m -69.69 -25.51 63.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.503 ' NE2' HG23 ' A' ' 12' ' ' ILE . 11.9 pt20 -82.93 -39.63 21.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.472 ' N ' ' HG3' ' A' ' 52' ' ' GLN . 38.3 mt -55.98 -56.94 14.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 28' ' ' TYR . . . -48.17 -60.3 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -44.24 -47.88 9.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.19 -60.73 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.554 ' HD1' HG22 ' A' ' 24' ' ' ILE . 77.1 t80 -51.04 -45.65 61.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -55.87 -48.58 75.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.408 HG11 ' CE2' ' A' ' 9' ' ' TYR . 24.6 t -63.91 -57.24 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 61' ' ' SER . 63.2 mt -59.48 -62.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' LEU . 98.5 p -35.45 -52.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -68.23 137.95 55.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.71 -30.16 59.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.2 -57.86 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -57.61 -44.38 85.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -59.72 -56.17 25.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -52.42 -45.07 65.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -67.97 -36.87 80.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -65.64 -48.59 71.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -63.06 -40.21 97.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.84 -46.31 89.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -72.08 -28.21 63.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -54.18 -45.45 73.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.1 t -113.4 170.87 7.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 79' ' ' GLY . . . -156.99 -94.97 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -39.52 6.3 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 t -41.37 -64.65 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 t -106.0 -70.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 75' ' ' GLY . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.532 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -85.7 108.9 18.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 110.805 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -77.28 150.99 35.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.99 -111.74 3.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m 49.84 42.19 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.372 . . . . 0.0 110.803 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -105.2 149.43 25.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.8 86.21 0.49 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -83.86 99.34 10.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.775 0.321 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.535 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 26.6 m-85 -50.42 -52.89 33.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.514 ' CE2' ' CE2' ' A' ' 69' ' ' TYR . 57.6 m-85 -43.32 -33.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.909 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -81.14 -38.55 26.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.5 mt -64.37 -46.01 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.717 HD12 HD12 ' A' ' 60' ' ' LEU . 27.1 mt -79.94 -31.72 40.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.68 36.71 7.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -119.47 154.91 54.5 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.599 0.714 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 148.15 64.13 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -52.24 -21.12 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -117.33 41.87 2.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.54 177.86 6.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.4 m -119.8 149.08 42.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -39.54 -35.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -64.68 -50.21 67.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.84 -42.36 97.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.767 HD11 ' NH2' ' A' ' 66' ' ' ARG . 42.9 mt -63.06 -40.91 90.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -67.88 -51.66 45.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -58.03 -58.11 9.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.54 -48.82 57.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.485 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 36.0 t80 -52.41 -57.76 8.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -57.88 -37.99 74.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -60.6 -39.51 88.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.601 HD13 HD21 ' A' ' 53' ' ' LEU . 54.8 mt -78.81 -54.48 6.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.652 ' HB1' ' HE1' ' A' ' 50' ' ' PHE . . . -45.62 -65.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.072 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -43.98 -41.13 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 9.3 ttmm -66.63 -39.59 88.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.451 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 59.9 m-85 -108.45 37.9 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.561 ' CD2' ' HD2' ' A' ' 37' ' ' PRO . 1.9 t-80 -72.96 140.64 80.88 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.551 0.691 . . . . 0.0 110.843 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.561 ' HD2' ' CD2' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.77 -12.64 33.29 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.384 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.63 -61.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.8 t -75.31 -2.48 28.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -113.96 93.12 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -93.33 -51.4 5.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -96.92 29.13 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -114.37 88.29 15.27 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.552 0.691 . . . . 0.0 110.832 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -25.57 28.25 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.68 2.254 . . . . 0.0 112.336 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -71.32 -37.71 71.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.22 -53.17 54.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.74 -52.71 2.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -61.91 -43.09 99.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -56.58 -62.0 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.652 ' HE1' ' HB1' ' A' ' 32' ' ' ALA . 15.8 t80 -47.76 -51.14 23.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -46.21 -41.34 12.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -71.95 -44.45 63.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.601 HD21 HD13 ' A' ' 31' ' ' LEU . 71.1 mt -54.29 -60.82 2.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.485 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -47.64 -56.75 6.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -53.6 -41.31 66.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.535 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -61.41 -38.55 87.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -75.07 -46.19 36.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -53.96 -48.96 69.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.68 -57.83 9.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.717 HD12 HD12 ' A' ' 13' ' ' LEU . 81.9 mt -56.59 -67.37 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 60' ' ' LEU . 60.1 p -36.76 -51.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -68.46 111.87 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -49.4 -41.32 39.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.8 t -65.29 -67.64 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -47.19 -37.75 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.767 ' NH2' HD11 ' A' ' 24' ' ' ILE . 27.4 ttt180 -62.47 -54.37 41.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -49.84 -43.4 48.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -66.82 -44.04 82.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.514 ' CE2' ' CE2' ' A' ' 10' ' ' TYR . 1.3 t80 -61.02 -43.24 99.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -69.28 -47.1 65.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.9 -50.08 14.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -81.07 -28.69 35.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -45.98 136.46 8.32 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.6 p -97.46 140.34 32.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.75 -165.57 24.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 95.23 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.364 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.7 m -101.65 97.48 7.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.3 t -45.14 -52.4 9.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.502 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -64.64 105.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 t -44.24 134.43 4.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.69 160.18 35.22 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.3 p -128.4 89.84 2.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 110.884 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -120.23 81.78 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.53 110.57 0.94 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -77.79 102.69 7.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.78 0.324 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.839 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 20.9 m-85 -49.02 -41.65 35.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.917 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -53.82 -28.57 36.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -81.66 -40.97 22.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.591 HG22 HD23 ' A' ' 53' ' ' LEU . 93.4 mt -59.47 -38.84 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.828 ' O ' HD11 ' A' ' 31' ' ' LEU . 38.4 mt -87.69 -36.97 17.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.37 44.95 3.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.88 151.47 78.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.62 0.724 . . . . 0.0 111.099 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 140.2 42.05 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.658 2.238 . . . . 0.0 112.317 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -46.16 -30.07 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -99.6 36.35 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.8 159.01 30.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' LYS . 18.9 t -95.62 141.08 29.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' SER . 4.0 tp-100 -37.29 -30.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' SER . 72.5 mttt -68.05 -58.56 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -50.76 -46.57 59.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 78.7 mt -53.71 -53.96 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 tttp -55.74 -66.81 0.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -43.31 -48.87 6.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.67 -52.07 66.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.078 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 19.5 t80 -49.56 -60.89 2.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -56.02 -53.69 53.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -47.59 -54.86 10.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.828 HD11 ' O ' ' A' ' 13' ' ' LEU . 23.6 mt -61.73 -57.62 11.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' LEU . . . -37.46 -58.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -55.82 -35.4 66.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.522 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 4.4 tmtm? -67.98 -47.45 68.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.522 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 88.4 m-85 -96.75 44.08 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.5 t-80 -79.58 140.5 55.51 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.57 0.7 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.1 Cg_endo -69.77 -4.6 14.37 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -75.21 -62.11 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.0 t -77.08 -8.34 57.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -109.89 78.74 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -85.0 -51.63 6.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.68 25.82 1.03 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.87 87.59 46.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.633 0.73 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -25.5 28.79 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -73.22 -30.17 63.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.53 -46.55 89.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.064 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.66 -56.94 2.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -66.65 -33.67 76.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -59.86 -49.33 78.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -58.82 -52.36 66.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.8 t -50.06 -36.54 29.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -67.09 -44.51 79.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.591 HD23 HG22 ' A' ' 12' ' ' ILE . 80.5 mt -53.07 -59.12 4.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.561 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -55.57 -43.02 75.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -57.22 -47.71 80.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.839 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -65.12 -45.14 86.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.083 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -57.75 -46.84 83.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -51.86 -48.72 63.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.449 HG13 ' HB3' ' A' ' 65' ' ' LYS . 75.5 t -64.7 -57.58 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.418 ' CD1' HD12 ' A' ' 13' ' ' LEU . 25.9 mt -55.44 -63.78 1.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 81.2 p -40.89 -34.15 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.94 117.81 25.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -56.2 -42.97 78.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.64 -62.57 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.449 ' HB3' HG13 ' A' ' 59' ' ' VAL . 50.0 mttm -55.3 -42.18 73.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -60.61 -54.69 42.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -49.99 -43.38 50.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -68.32 -42.52 79.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.449 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 1.0 OUTLIER -64.32 -36.27 83.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -55.92 -41.32 74.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.21 -45.55 11.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.063 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -90.48 29.94 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -105.71 114.84 4.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 57.3 p -86.89 166.87 14.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.373 . . . . 0.0 110.905 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.42 168.81 40.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.88 -30.72 21.26 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.5 p -51.49 154.57 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.2 p -94.14 125.95 39.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.495 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 t -52.94 124.69 14.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -48.15 112.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.93 -142.17 7.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 p -116.22 160.15 20.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.897 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 m -106.86 39.38 1.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.27 62.84 0.28 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.11 108.39 19.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.35 . . . . 0.0 110.821 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.508 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 22.8 m-85 -53.14 -40.32 64.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -53.24 -42.78 66.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -68.25 -45.06 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.531 HG22 HD23 ' A' ' 53' ' ' LEU . 88.5 mt -51.62 -39.94 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.681 ' HA ' HD22 ' A' ' 31' ' ' LEU . 27.9 mt -89.29 -30.3 18.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.74 37.99 5.94 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 m -119.48 151.05 50.99 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.654 0.74 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 142.35 48.07 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.74 2.293 . . . . 0.0 112.37 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.8 mtt-85 -46.52 -24.54 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -107.4 37.17 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.76 151.27 30.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 t -89.78 149.92 22.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.578 ' HA ' HD12 ' A' ' 24' ' ' ILE . 13.4 mm-40 -43.31 -47.74 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -53.5 -47.46 69.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.68 -35.55 76.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 21' ' ' GLN . 17.4 mt -64.06 -51.34 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.181 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -55.77 -55.58 30.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -54.36 -53.99 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.97 -35.7 67.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.513 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 16.6 t80 -63.12 -53.52 52.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -64.69 -27.92 69.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -68.68 -57.45 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 13' ' ' LEU . 8.0 mp -68.33 -47.63 66.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -39.96 -34.85 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -88.5 -32.87 18.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 6.7 tmtm? -65.14 -37.11 86.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.568 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 72.2 m-85 -101.93 24.22 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.571 ' CD2' ' HD2' ' A' ' 37' ' ' PRO . 1.9 t-80 -59.83 140.57 89.83 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.567 0.699 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.571 ' HD2' ' CD2' ' A' ' 36' ' ' HIS . 53.6 Cg_endo -69.76 -25.76 28.26 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.326 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.32 -52.8 51.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.2 p -74.33 -30.26 61.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -86.33 61.05 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -66.32 -49.44 67.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -89.56 24.62 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . 2.6 m-20 -132.73 89.99 33.75 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.539 0.685 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 43' ' ' ASP . 53.6 Cg_endo -69.71 -40.59 5.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -55.78 -41.4 74.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -43.08 -39.08 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -47.76 -59.52 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -36.25 76.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -61.13 -43.77 98.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.488 ' HA ' HD12 ' A' ' 53' ' ' LEU . 31.7 t80 -61.66 -51.66 67.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.9 p -52.51 -34.29 49.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -71.08 -39.85 71.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.531 HD23 HG22 ' A' ' 12' ' ' ILE . 55.1 mt -55.53 -63.05 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.513 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -45.09 -48.89 11.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -58.94 -51.06 71.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -54.18 -43.66 70.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -66.09 -45.41 81.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -52.91 -42.58 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.2 t -75.63 -62.04 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.495 ' CD1' HD12 ' A' ' 13' ' ' LEU . 92.7 mt -44.44 -50.47 9.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.9 p -53.69 -41.03 66.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -87.66 94.2 9.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -41.81 -37.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.9 t -62.41 -51.84 67.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -64.03 -36.46 84.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.5 ttp-105 -63.03 -48.8 77.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -45.26 -49.11 12.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -64.6 -36.26 83.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -63.14 -43.26 98.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -75.11 -38.12 61.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.18 -41.58 60.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -96.08 -24.5 16.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.0 -59.71 7.69 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.8 t -113.58 148.36 36.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 110.808 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.98 147.34 5.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 103.85 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.67 2.246 . . . . 0.0 112.319 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 91.7 p -126.06 -46.09 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.6 t -82.03 -59.47 2.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 p -144.27 162.55 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.9 p -76.8 130.54 37.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.05 130.13 5.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.452 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -111.7 118.33 35.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.925 0.393 . . . . 0.0 110.821 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 m -155.25 166.24 34.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.32 -56.83 0.49 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.09 96.82 3.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.482 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 25.8 m-85 -47.59 -47.65 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.861 ' CE1' HD22 ' A' ' 60' ' ' LEU . 31.2 m-85 -47.85 -33.83 7.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -78.4 -43.47 27.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 85.6 mt -56.58 -40.08 66.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.538 ' CD1' HD12 ' A' ' 60' ' ' LEU . 27.9 mt -83.46 -36.81 23.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.14 38.26 3.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.457 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 m -124.22 152.13 67.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 111.134 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 143.27 50.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.317 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -42.71 -36.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -101.64 44.98 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.63 145.53 31.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -84.65 152.07 24.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -39.83 -46.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -56.28 -48.62 76.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.61 -44.21 96.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.5 mt -61.87 -44.5 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -66.73 -46.41 75.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -62.17 -54.7 37.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.445 ' O ' HD23 ' A' ' 31' ' ' LEU . . . -49.03 -45.07 42.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.437 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 38.6 t80 -57.4 -54.83 42.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -57.34 -37.41 72.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -65.34 -54.55 27.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 27' ' ' ALA . 1.6 mm? -60.5 -47.04 87.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -49.26 -60.5 2.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -51.28 -37.39 47.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -66.67 -46.38 75.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -103.67 47.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 3.0 t-80 -79.05 140.55 57.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.587 0.708 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.6 Cg_endo -69.75 -19.47 36.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -70.39 -40.08 74.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 t -92.67 -17.6 24.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -97.97 52.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.816 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -60.39 -58.73 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -84.51 30.93 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.72 90.19 46.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.624 0.726 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -25.5 28.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.314 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -70.3 -41.14 73.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.78 -49.48 38.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -43.32 -32.96 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -83.82 -37.94 21.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -61.01 -43.94 98.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -61.46 -47.68 84.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 t -48.33 -42.97 32.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -65.98 -45.86 80.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.0 mt -51.64 -60.02 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -47.81 -55.56 9.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -51.81 -55.68 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -50.21 -42.59 51.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -67.78 -45.37 75.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -60.13 -38.83 84.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.607 HG13 ' HB3' ' A' ' 65' ' ' LYS . 72.8 t -75.0 -58.85 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.861 HD22 ' CE1' ' A' ' 10' ' ' TYR . 86.1 mt -54.09 -51.39 64.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 p -52.09 -46.92 65.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -71.48 115.69 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -49.34 -39.36 31.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.8 t -67.27 -70.04 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.607 ' HB3' HG13 ' A' ' 59' ' ' VAL . 45.9 mttp -44.19 -51.44 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -49.7 -60.57 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -47.74 -50.93 23.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -56.31 -23.0 34.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -93.71 -26.47 17.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.451 ' OD1' ' C ' ' A' ' 70' ' ' ASP . 0.2 OUTLIER -63.43 -35.91 81.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.25 -51.59 11.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -65.85 -12.63 55.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.98 132.07 10.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 61.8 m -111.04 144.45 40.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.933 0.397 . . . . 0.0 110.846 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.62 83.47 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 171.87 13.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 m -82.39 107.78 15.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 t -143.88 126.79 16.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -75.64 -43.84 45.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.368 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -57.09 131.01 48.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.12 -123.0 1.31 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 p -113.73 115.62 28.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.888 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -139.44 126.72 21.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.64 -47.18 1.67 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.507 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -53.1 110.58 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -58.82 -43.09 90.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -53.96 -36.78 63.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -69.99 -41.09 74.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.56 -40.35 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' ' 60' ' ' LEU . 32.3 mt -79.82 -35.39 38.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.84 40.06 3.68 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 m -126.75 149.91 69.83 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.652 0.739 . . . . 0.0 111.113 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.78 143.59 51.23 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.731 2.287 . . . . 0.0 112.364 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -41.6 -36.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -97.18 40.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -70.19 175.13 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' GLN . 33.6 t -117.95 145.07 44.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.559 ' HA ' HD12 ' A' ' 24' ' ' ILE . 4.8 tp60 -35.22 -48.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -58.19 -59.37 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -46.85 -40.42 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 21' ' ' GLN . 49.7 mt -60.72 -51.83 68.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -57.63 11.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.34 -51.46 14.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.36 -53.96 52.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.514 ' CD1' ' HB2' ' A' ' 57' ' ' TYR . 49.7 t80 -47.49 -45.72 26.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -65.21 -41.16 94.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.925 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -58.17 -55.23 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.6 mt -69.67 -53.07 20.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -42.47 -40.9 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -72.2 -38.77 68.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HD3' ' CZ ' ' A' ' 35' ' ' TYR . 22.1 ttmt -62.46 -42.94 99.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.589 ' CD1' ' HD3' ' A' ' 49' ' ' LYS . 63.4 m-85 -107.53 36.88 2.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.5 t-80 -58.45 140.44 84.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 110.843 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.585 ' HD3' ' CE1' ' A' ' 50' ' ' PHE . 53.7 Cg_endo -69.77 -13.42 34.61 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -76.74 -39.79 50.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.2 p -79.64 -32.8 41.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.169 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.489 ' OD1' ' CB ' ' A' ' 43' ' ' ASP . 9.8 m-80 -92.55 63.95 4.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -50.14 87.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 40' ' ' ASN . 32.7 m-20 67.65 55.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.489 ' CB ' ' OD1' ' A' ' 40' ' ' ASN . 1.9 t70 -104.29 137.61 19.28 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.58 0.705 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -47.76 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -58.86 -38.45 78.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.47 ' HB2' ' CG ' ' A' ' 40' ' ' ASN . . . -76.5 -49.64 16.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -45.32 -48.2 13.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.44 -40.09 73.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.589 ' HD3' ' CD1' ' A' ' 35' ' ' TYR . 18.9 mttm -64.11 -66.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.585 ' CE1' ' HD3' ' A' ' 37' ' ' PRO . 4.7 t80 -42.57 -32.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.6 t -68.93 -41.13 78.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 49' ' ' LYS . 7.7 mt-30 -74.1 -35.66 64.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.81 -57.88 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.99 -44.3 78.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -63.57 -43.49 96.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.81 -54.26 37.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.514 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 64.7 t80 -60.39 -39.95 89.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -57.62 -39.96 78.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.515 HG13 ' HB3' ' A' ' 65' ' ' LYS . 66.7 t -75.03 -62.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.456 ' CD1' HD12 ' A' ' 13' ' ' LEU . 28.1 mt -49.84 -53.3 26.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.2 p -52.98 -26.73 16.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' GLU . 1.6 t70 -93.73 92.1 7.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 62' ' ' ASP . 7.0 pt-20 -37.55 -43.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.3 t -57.61 -56.1 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.515 ' HB3' HG13 ' A' ' 59' ' ' VAL . 46.9 mttt -61.44 -47.62 84.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.6 ttt-85 -48.96 -58.55 4.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -45.86 -45.01 14.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -67.29 -39.0 85.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.42 ' O ' ' N ' ' A' ' 73' ' ' GLY . 3.8 t80 -66.06 -39.58 90.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -52.11 -45.78 65.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.69 -40.92 18.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -91.25 27.12 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.963 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 69' ' ' TYR . . . -77.71 155.65 43.37 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 84.2 p -101.73 174.71 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 127.8 177.81 15.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 78' ' ' SER . 53.5 Cg_endo -69.82 -27.34 26.29 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.644 2.229 . . . . 0.0 112.336 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.2 m -41.32 96.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 76' ' ' PRO . 1.2 t 48.79 44.83 22.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 p -96.68 125.31 41.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.86 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -81.7 131.89 35.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.91 114.21 1.14 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.538 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 m -95.32 119.83 34.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 0.0 110.883 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 p -46.93 150.11 0.79 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.68 52.08 1.46 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.94 98.72 11.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.339 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.461 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 23.8 m-85 -52.95 -39.61 63.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -56.27 -27.08 54.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -83.55 -44.12 14.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.611 HD13 ' HB3' ' A' ' 52' ' ' GLN . 70.0 mt -56.9 -41.78 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.6 mt -84.75 -39.93 17.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.4 39.06 4.58 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.0 m -124.08 149.37 60.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 143.06 49.68 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.643 2.229 . . . . 0.0 112.375 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -48.34 -31.05 5.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -97.72 34.01 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.99 159.32 26.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 21' ' ' GLN . 3.7 t -98.42 148.79 23.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 20' ' ' SER . 81.7 mm-40 -37.17 -52.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -47.91 -55.49 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -50.47 -49.81 54.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.548 HD13 ' HB3' ' A' ' 60' ' ' LEU . 56.7 mt -56.42 -42.79 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -62.19 -63.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -47.06 -55.83 7.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.68 -49.81 67.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.045 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -53.7 -55.0 30.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -58.61 -45.24 89.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -51.78 -53.01 44.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' ALA . 66.4 mt -66.9 -54.83 18.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' LEU . . . -35.8 -58.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -48.92 -43.44 39.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 74.6 tttt -66.62 -44.36 82.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.498 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 88.2 m-85 -100.72 39.92 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 3.0 t-80 -75.37 140.68 72.68 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.583 0.706 . . . . 0.0 110.806 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.4 Cg_endo -69.8 -36.07 11.36 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -54.23 -45.61 72.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.8 p -82.07 -39.52 23.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -92.54 81.24 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -78.1 -71.68 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.466 ' O ' ' C ' ' A' ' 43' ' ' ASP . 69.2 m-20 -61.48 -49.23 77.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 42' ' ' ASP . 5.8 m-20 -32.67 96.04 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.581 0.705 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' ASP . 53.9 Cg_endo -69.71 -26.75 27.5 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -74.56 -33.69 62.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.75 -51.99 65.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -39.59 -53.57 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -62.44 -49.52 75.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -49.92 -61.49 2.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -46.9 -44.92 20.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 m -58.11 -42.89 86.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.611 ' HB3' HD13 ' A' ' 12' ' ' ILE . 12.0 mt-30 -65.44 -34.21 77.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.17 -59.45 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.77 -40.99 69.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.57 -43.81 88.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.461 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -64.86 -51.14 63.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.505 ' HD1' HG22 ' A' ' 24' ' ' ILE . 51.6 t80 -61.33 -44.4 97.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -56.44 -52.32 65.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.423 HG13 ' HB3' ' A' ' 65' ' ' LYS . 57.6 t -60.08 -63.21 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.548 ' HB3' HD13 ' A' ' 24' ' ' ILE . 15.8 mt -49.79 -61.19 2.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.5 p -43.37 -30.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.819 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -90.73 110.1 21.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -51.1 -31.01 17.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.553 HG12 HE21 ' A' ' 68' ' ' GLN . 89.1 t -73.55 -61.89 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HB3' HG13 ' A' ' 59' ' ' VAL . 58.4 mttm -51.34 -48.63 62.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.467 ' NH2' HD11 ' A' ' 24' ' ' ILE . 21.9 ttt180 -53.62 -49.55 67.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -54.34 -49.54 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.553 HE21 HG12 ' A' ' 64' ' ' VAL . 73.2 mt-30 -60.75 -42.2 96.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.429 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 2.8 t80 -71.43 -25.11 62.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -74.58 -32.48 62.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.16 -45.03 67.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -77.37 -24.3 50.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -80.07 -83.25 0.71 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.508 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.0 p -136.06 144.29 45.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.363 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.38 -178.07 47.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -33.14 17.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.7 t -56.35 159.01 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.2 m -96.46 104.72 16.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 t -126.87 146.89 50.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.915 0.388 . . . . 0.0 110.88 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 p -148.76 112.6 5.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.21 41.73 0.12 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -118.49 118.79 32.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.826 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.4 p -71.28 85.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.75 85.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -68.11 106.81 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -57.71 -37.44 73.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.405 ' CE2' ' CE2' ' A' ' 69' ' ' TYR . 73.7 m-85 -54.74 -25.47 27.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -85.88 -38.21 18.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.22 -34.96 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.2 mt -91.9 -22.14 20.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.39 39.61 10.87 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.13 152.92 64.36 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.652 0.739 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 155.82 65.0 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -11.45 13.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -123.29 38.13 4.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.49 172.77 7.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 21' ' ' GLN . 23.2 t -111.16 141.91 44.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 20' ' ' SER . 11.7 mm100 -35.85 -35.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.475 ' N ' ' HE3' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -66.21 -53.71 33.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -59.61 -36.84 77.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.426 HD13 ' HB3' ' A' ' 60' ' ' LEU . 85.9 mt -61.92 -46.32 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -65.5 -58.63 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -50.89 -51.19 54.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.76 -38.38 69.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.453 ' CG ' ' HB2' ' A' ' 57' ' ' TYR . 23.0 t80 -67.07 -60.8 2.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -54.37 -45.73 72.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -52.56 -52.8 53.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' LYS . 35.1 mt -64.77 -54.43 31.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -37.86 -53.03 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -58.51 -35.51 72.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' LEU . 35.2 tttm -71.19 -35.38 71.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -113.29 53.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 3.6 t-80 -88.2 140.61 30.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.626 0.727 . . . . 0.0 110.802 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.7 -0.69 7.23 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.389 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -77.53 -61.23 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 t -81.37 -11.12 59.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -114.13 59.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -66.27 -58.09 6.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 43' ' ' ASP . 4.1 p30 -65.78 -50.56 64.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -32.89 96.18 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.608 0.718 . . . . 0.0 110.87 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 42' ' ' ASP . 53.3 Cg_endo -69.78 -25.65 28.27 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.323 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.2 mttt -78.02 -35.25 50.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.99 -55.72 18.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.72 -57.48 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -65.25 -38.88 91.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -55.94 -57.09 13.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -51.35 -48.18 62.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.2 m -49.54 -40.2 37.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -65.41 -42.21 92.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.0 mt -55.44 -63.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.71 -44.5 48.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.062 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -62.51 -32.49 73.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.11 -52.14 11.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.453 ' HB2' ' CG ' ' A' ' 28' ' ' TYR . 57.7 t80 -62.51 -44.94 95.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -53.53 -49.41 67.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.2 -62.64 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.426 ' HB3' HD13 ' A' ' 24' ' ' ILE . 14.2 mt -51.67 -60.81 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 60' ' ' LEU . 85.9 p -36.21 -47.48 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.68 119.3 21.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.7 -36.99 72.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 86.2 t -65.87 -58.38 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -59.51 -36.51 76.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.6 ttt-85 -65.46 -53.69 39.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -53.18 -38.24 62.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -75.94 -34.99 59.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.405 ' CE2' ' CE2' ' A' ' 10' ' ' TYR . 3.2 t80 -68.19 -39.8 82.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -74.31 -46.94 37.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.12 -52.77 19.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -76.03 -27.25 57.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.98 -74.38 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.2 t -110.4 142.75 41.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.392 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.56 147.73 20.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -6.42 18.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.361 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.8 t -63.03 142.41 58.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.4 t -63.9 -52.72 58.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.452 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 m -87.72 158.75 18.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 m -103.18 -44.42 5.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.04 50.93 0.87 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 m -133.07 155.63 48.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 0.0 110.879 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 p -154.28 153.64 32.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.63 -34.37 0.63 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -66.48 97.52 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.833 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.403 ' CD1' ' HA ' ' A' ' 56' ' ' ALA . 19.9 m-85 -48.73 -40.48 28.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.979 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -55.0 -36.34 65.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -76.2 -44.36 38.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.72 -42.03 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 28' ' ' TYR . 35.6 mt -86.28 -19.17 30.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.64 32.07 38.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.492 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.2 m -113.88 152.2 45.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.627 0.727 . . . . 0.0 111.103 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 152.57 69.38 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.712 2.274 . . . . 0.0 112.363 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.3 mtt-85 -59.8 -20.81 59.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -106.72 34.38 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.9 170.36 16.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' GLU . 46.8 t -119.04 148.9 42.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' SER . 12.8 mm100 -35.09 -43.85 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -59.45 -45.57 91.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' SER . 20.3 mt-10 -57.91 -51.64 68.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 3.6 mp -52.21 -36.22 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -66.38 -66.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -45.14 -50.54 11.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.3 -47.05 74.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.477 ' CB ' ' O ' ' A' ' 24' ' ' ILE . 7.3 t80 -52.08 -62.17 1.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -50.85 -51.85 47.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -43.51 -51.86 6.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.9 mt -70.45 -55.42 9.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.67 -32.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -82.33 -35.43 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -68.9 -32.93 72.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -113.08 37.38 3.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 8.8 t-80 -67.53 140.53 94.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.562 0.696 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.74 -9.15 25.42 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -71.52 -52.85 16.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.54 HG23 HD22 ' A' ' 40' ' ' ASN . 10.0 t -86.66 -5.88 59.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.54 HD22 HG23 ' A' ' 39' ' ' THR . 3.8 m-80 -112.67 50.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -55.08 -64.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 43' ' ' ASP . 14.7 t70 -69.72 -46.73 65.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' ASP . 2.9 m-20 -32.96 96.29 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.44 ' N ' ' O ' ' A' ' 42' ' ' ASP . 53.7 Cg_endo -69.78 -35.38 12.69 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -68.07 -39.93 82.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.77 -41.08 14.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.097 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -53.47 -35.86 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -82.88 -38.56 22.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -61.01 -48.61 81.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -57.16 -48.04 79.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.1 m -54.05 -37.64 64.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -68.22 -42.29 80.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.72 -68.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.19 -39.39 4.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 59' ' ' VAL . 9.1 tp10 -67.47 -44.04 79.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.403 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -60.05 -46.96 87.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.104 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.489 ' CE2' ' HB3' ' A' ' 61' ' ' SER . 26.1 t80 -67.61 -59.11 3.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.973 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -37.47 -37.15 0.19 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 55' ' ' GLU . 84.0 t -77.13 -63.17 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.6 mt -54.71 -61.51 2.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.489 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 46.5 p -39.7 -32.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -90.4 108.16 19.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -46.95 -36.2 7.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.1 t -68.46 -68.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HB3' HG13 ' A' ' 59' ' ' VAL . 38.1 mttp -45.08 -51.07 10.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.2 ttt-85 -50.68 -58.23 6.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -40.7 -49.56 3.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -65.77 -36.78 84.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -63.28 -39.08 93.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -73.89 -41.98 61.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.5 -53.06 32.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -79.76 -28.27 40.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.36 -74.63 0.32 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.5 t -112.49 150.42 31.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.903 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 144.95 70.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 153.34 68.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.238 . . . . 0.0 112.323 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.4 m -99.98 154.97 17.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 p -117.92 46.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 m 50.37 42.32 25.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -104.73 91.59 3.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.864 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.98 157.71 30.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 t -141.43 127.21 19.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.351 . . . . 0.0 110.888 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -79.96 156.74 27.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.04 -44.78 2.32 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.82 124.03 29.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.411 ' HB3' ' HB1' ' A' ' 56' ' ' ALA . 24.7 m-85 -70.15 -39.59 75.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -50.77 -36.33 36.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -78.49 -47.0 18.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.5 mt -54.63 -35.46 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.511 ' CD1' HD12 ' A' ' 60' ' ' LEU . 29.4 mt -92.23 -32.95 14.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.19 33.96 7.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 m -117.65 147.57 41.21 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.641 0.734 . . . . 0.0 111.111 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HG2' ' HB2' ' A' ' 19' ' ' ALA . 53.4 Cg_endo -69.76 146.9 61.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.716 2.277 . . . . 0.0 112.314 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.94 -32.48 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -106.45 42.51 1.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.415 ' HB2' ' HG2' ' A' ' 16' ' ' PRO . . . -80.68 152.6 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 m -82.19 146.36 29.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -41.68 -50.02 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 23' ' ' GLU . 16.0 ptmt -52.04 -50.05 62.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 10.3 tt0 -55.09 -43.0 73.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.629 HD13 ' HB3' ' A' ' 60' ' ' LEU . 95.9 mt -58.52 -47.25 88.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -65.76 -55.87 14.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.7 ttmm -50.55 -39.39 49.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.97 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.502 ' CD2' ' CG ' ' A' ' 57' ' ' TYR . 11.1 t80 -45.91 -54.42 8.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -61.44 -52.21 65.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -47.36 -53.67 13.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.54 -50.05 71.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.98 -50.79 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -61.49 -35.22 77.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.491 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 4.8 tmtm? -68.48 -41.75 79.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.491 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 87.1 m-85 -106.84 47.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.3 t-80 -75.83 140.68 71.04 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.1 Cg_endo -69.78 -43.31 2.72 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.08 -43.14 60.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 p -81.96 -57.55 3.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -73.39 74.86 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -72.61 -69.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -59.95 -50.83 72.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -33.4 96.59 0.1 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 0.0 110.872 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 42' ' ' ASP . 54.6 Cg_endo -69.69 -25.73 28.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.701 2.268 . . . . 0.0 112.362 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -75.5 -41.49 55.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -44.4 -54.74 5.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -42.09 -35.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -85.71 -30.24 23.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 46' ' ' ALA . 39.8 mmtt -67.6 -44.42 78.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -63.24 -52.99 59.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -48.38 -43.23 33.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -68.11 -45.24 74.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.5 mt -50.99 -59.32 4.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.08 -57.77 5.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.505 ' O ' HG23 ' A' ' 59' ' ' VAL . 16.0 tp10 -53.3 -45.47 68.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -56.5 -47.4 79.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.502 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 47.4 t80 -66.97 -43.96 81.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -60.04 -39.18 85.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.76 HG13 ' HB3' ' A' ' 65' ' ' LYS . 77.3 t -72.96 -60.7 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.629 ' HB3' HD13 ' A' ' 24' ' ' ILE . 69.7 mt -53.59 -48.86 68.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p -49.07 -51.08 33.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -69.43 126.65 30.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -61.12 -29.75 69.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.3 t -74.67 -63.19 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.76 ' HB3' HG13 ' A' ' 59' ' ' VAL . 58.8 mttm -49.69 -38.23 32.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -66.57 -48.25 70.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -54.24 -48.47 71.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -67.84 -43.78 78.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.75 -35.85 79.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -68.54 -39.48 81.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.07 -48.38 80.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -78.01 -18.14 56.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -125.12 87.11 0.36 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -135.56 163.61 29.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.49 179.98 31.93 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 148.11 64.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.743 2.296 . . . . 0.0 112.303 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -74.15 132.37 42.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.5 p -120.83 169.04 10.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.512 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p -91.2 177.73 6.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.891 0.377 . . . . 0.0 110.831 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -101.65 103.88 14.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.863 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.59 -148.72 7.22 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -108.79 108.08 18.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -147.65 127.96 13.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.49 86.23 0.2 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.525 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -97.44 105.26 17.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -54.88 -39.17 68.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.459 ' CE2' ' CE2' ' A' ' 69' ' ' TYR . 56.1 m-85 -56.05 -30.69 62.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -81.18 -41.56 22.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.74 -40.03 81.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.438 ' CD1' HD12 ' A' ' 60' ' ' LEU . 25.5 mt -84.8 -42.51 15.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.64 42.63 2.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.71 151.08 78.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.58 0.705 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 143.54 51.03 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.312 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -47.6 -32.24 5.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -99.5 37.43 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.49 156.11 33.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 21' ' ' GLN . 5.7 t -95.4 141.98 28.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' SER . 27.2 mm-40 -35.7 -45.64 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -53.38 -51.85 61.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -60.01 -45.13 93.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.485 HD13 ' HB3' ' A' ' 60' ' ' LEU . 87.5 mt -57.02 -45.47 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.119 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -61.66 -61.84 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.05 -55.31 10.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.57 -51.87 57.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.11 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -46.17 -54.55 8.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -63.86 -49.5 72.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -46.49 -48.35 19.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.33 -50.82 23.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.82 -62.05 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -50.04 -42.06 48.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -61.04 -39.6 90.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -109.01 42.02 1.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 20.4 t-80 -75.35 139.88 72.11 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.556 0.693 . . . . 0.0 110.871 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.9 Cg_endo -69.76 2.75 3.25 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.695 2.264 . . . . 0.0 112.33 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -82.77 -57.6 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.0 t -86.02 -6.54 59.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -116.2 52.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -59.98 -64.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 43' ' ' ASP . 12.0 p-10 -60.18 -51.82 67.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.725 ' OD2' ' HB2' ' A' ' 46' ' ' ALA . 26.0 t0 -33.27 96.48 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 42' ' ' ASP . 53.6 Cg_endo -69.84 -27.78 25.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.658 2.238 . . . . 0.0 112.352 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' ALA . 26.9 mtmt -74.53 -44.75 49.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.725 ' HB2' ' OD2' ' A' ' 43' ' ' ASP . . . -38.13 -48.44 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -41.44 -58.31 1.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.81 -46.07 90.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -51.31 -58.0 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -54.31 -48.25 71.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.5 t -52.74 -49.02 66.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -63.37 -36.21 82.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.86 -60.2 4.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.9 -54.82 20.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -54.36 -37.94 65.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.44 -51.66 64.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -61.26 -44.82 96.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -48.98 -42.09 36.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.4 t -71.91 -62.2 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.485 ' HB3' HD13 ' A' ' 24' ' ' ILE . 60.2 mt -52.76 -61.64 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 60' ' ' LEU . 58.6 p -37.77 -48.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -76.16 137.75 40.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 64' ' ' VAL . 12.4 pt-20 -72.63 -44.2 62.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.422 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 54.5 t -60.6 -48.57 88.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -64.43 -49.02 73.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -55.66 -55.77 28.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -50.91 -43.56 59.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -67.17 -42.98 83.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.459 ' CE2' ' CE2' ' A' ' 10' ' ' TYR . 2.2 t80 -70.87 -21.77 62.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -84.57 -18.18 36.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.83 -48.91 13.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -82.54 -19.09 39.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.87 -69.08 1.46 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 91.6 p -129.18 144.02 51.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.952 0.406 . . . . 0.0 110.797 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -113.08 172.64 14.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 140.93 43.83 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.38 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 m -124.28 80.61 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.0 t -91.18 95.9 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -56.05 168.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -152.55 109.94 3.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.15 -50.43 0.4 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.541 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -60.35 141.75 55.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 m -95.87 123.39 39.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.67 57.92 4.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.45 101.14 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -52.64 -35.66 55.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -60.92 -28.24 68.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -82.63 -38.89 22.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.83 -37.06 78.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.499 HD23 HD12 ' A' ' 31' ' ' LEU . 25.5 mt -90.7 -19.99 22.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.05 47.99 10.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.95 150.85 76.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 111.154 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 144.02 53.0 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.1 mtt-85 -47.25 -33.62 5.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -94.18 34.37 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.05 128.88 33.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.9 t -71.44 152.53 43.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -44.1 -50.27 8.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 23' ' ' GLU . 6.2 ptmm? -48.4 -43.04 33.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 22' ' ' LYS . 4.6 tp10 -63.99 -51.81 62.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.3 mt -53.75 -39.78 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -57.3 9.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.14 -55.16 36.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.05 -53.5 33.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -51.64 -68.2 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -44.22 -39.97 4.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -60.0 -63.57 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.719 HD23 ' HE2' ' A' ' 34' ' ' LYS . 77.1 mt -57.26 -53.31 59.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.11 -55.65 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -65.17 -34.24 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.719 ' HE2' HD23 ' A' ' 31' ' ' LEU . 28.6 ttpt -64.58 -25.71 68.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.482 ' CE2' ' HE3' ' A' ' 34' ' ' LYS . 83.3 m-85 -123.82 39.58 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 3.0 t-80 -60.33 140.64 91.58 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.588 0.709 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.75 -34.59 14.3 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.227 . . . . 0.0 112.331 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -54.71 -58.95 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.2 p -66.36 -31.49 72.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.41 ' OD1' ' CG ' ' A' ' 43' ' ' ASP . 23.5 m-80 -98.46 88.36 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -69.41 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 43' ' ' ASP . 1.3 m-20 -70.45 -45.02 66.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 42' ' ' ASP . 5.5 m-20 -32.62 95.99 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.577 0.703 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 42' ' ' ASP . 54.2 Cg_endo -69.72 -25.95 28.24 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.707 2.271 . . . . 0.0 112.329 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -76.3 -27.07 56.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.01 -53.53 14.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.046 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.431 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -49.07 -38.32 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -76.11 -36.32 58.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -65.61 -60.88 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.455 ' CD1' ' HD3' ' A' ' 37' ' ' PRO . 38.3 t80 -43.32 -49.53 6.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.5 t -55.94 -41.46 74.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -69.57 -46.99 65.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.6 mt -52.05 -60.81 2.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.38 -48.6 36.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -56.63 -50.54 71.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.0 -45.79 75.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -64.81 -47.3 78.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.925 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -51.05 -50.33 58.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.837 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.9 -61.62 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.164 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' SER . 41.0 mt -53.01 -63.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 60' ' ' LEU . 24.5 p -36.82 -48.61 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -74.5 114.31 12.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.43 -42.18 70.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.3 -57.28 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -59.77 -40.56 88.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -59.0 -49.74 76.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -54.46 -48.86 71.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -64.48 -47.58 78.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -58.11 -42.95 86.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -68.09 -43.82 77.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.21 -50.86 71.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -77.71 -20.37 53.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.72 -52.49 45.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.4 p -91.33 150.47 21.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.851 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.17 83.33 1.24 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -24.73 29.51 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.9 t -67.02 94.37 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.3 t -68.45 -43.63 76.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.511 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -129.06 157.1 42.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 110.869 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -90.56 177.2 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.12 -137.84 18.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.8 p 39.87 40.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.867 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 m -96.83 45.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.819 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.24 57.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.429 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -93.49 106.1 18.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -58.26 -45.56 87.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -48.63 -45.1 37.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -70.86 -44.64 65.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.426 HG22 HD23 ' A' ' 53' ' ' LEU . 92.2 mt -53.39 -37.99 31.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 28' ' ' TYR . 35.7 mt -89.36 -30.77 18.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.6 38.9 5.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.9 m -124.36 151.74 66.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.03 61.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -61.66 -16.21 46.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -109.64 33.68 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.95 170.06 16.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -118.37 168.82 10.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -58.23 -29.09 65.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.37 -52.64 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -59.16 -39.19 81.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.2 mt -66.3 -36.51 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -69.58 -39.96 77.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -75.22 -43.6 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.69 81.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.457 ' HA ' HD22 ' A' ' 13' ' ' LEU . 16.0 t80 -63.66 -66.75 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -48.12 -35.59 11.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -58.75 -56.6 20.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.56 -43.55 84.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.53 -29.44 50.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -83.83 -33.2 24.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.466 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 9.5 ttmm -69.76 -29.05 66.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.466 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 95.7 m-85 -118.19 38.44 3.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.4 t-80 -71.1 140.62 85.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.9 Cg_endo -69.77 -44.21 2.2 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.707 2.271 . . . . 0.0 112.298 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -52.92 -20.38 3.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.4 p -112.81 -5.52 13.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -121.59 80.44 1.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -86.58 -53.67 4.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -79.42 7.79 7.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -108.16 87.7 4.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -25.49 28.2 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -72.03 -25.18 61.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.74 -46.9 73.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -40.22 -55.68 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -68.33 -32.78 73.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -61.43 -43.45 98.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -67.26 -44.14 80.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.7 m -50.56 -41.68 54.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -67.65 -50.57 57.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.426 HD23 HG22 ' A' ' 12' ' ' ILE . 72.7 mt -48.14 -62.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.21 -50.37 38.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -57.61 -33.18 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.26 -52.56 39.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -61.72 -44.01 97.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -51.51 -47.88 63.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.7 -55.94 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.2 mt -56.36 -66.68 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.8 p -37.94 -38.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.25 113.31 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -56.18 -33.56 65.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.1 t -74.16 -60.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -50.05 -44.79 51.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.7 ttt-85 -57.04 -55.97 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -43.01 -43.27 4.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -74.52 -34.32 62.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.513 ' O ' ' CD1' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -68.16 -30.99 70.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -73.48 -31.46 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.39 -40.57 85.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -82.0 -21.64 36.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.56 44.06 2.43 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 86.3 p -134.08 144.65 48.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.934 0.397 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.99 -162.91 0.79 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.464 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 119.59 6.51 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 t -57.86 129.75 43.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.6 p -151.61 158.59 43.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.482 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 m -124.89 86.42 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -79.89 162.06 25.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.04 177.07 20.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.523 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -97.92 42.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 m -101.85 111.99 24.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.4 93.45 0.6 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.521 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -78.28 102.89 7.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.371 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -56.3 -41.96 76.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -49.82 -28.79 6.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -84.06 -41.1 17.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.2 mt -60.49 -36.98 73.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.2 mt -88.8 -35.52 16.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.57 39.85 4.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.496 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 m -123.67 150.03 60.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.588 0.709 . . . . 0.0 111.153 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 140.99 44.24 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.728 2.285 . . . . 0.0 112.364 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -46.08 -21.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -107.38 37.32 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.07 -177.29 4.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.047 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 21' ' ' GLN . 34.1 t -133.22 153.86 51.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' SER . 2.6 mp0 -37.37 -52.05 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -52.66 -57.21 10.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -55.8 -41.11 73.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.43 HD13 ' HB3' ' A' ' 60' ' ' LEU . 65.4 mt -63.75 -41.44 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -68.84 -57.9 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -52.16 -40.96 62.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.65 -45.94 67.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.551 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 13.2 t80 -51.83 -49.59 62.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -64.41 -42.45 96.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.973 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -53.15 -47.43 68.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.991 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.36 -54.69 8.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.23 -51.35 3.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -54.3 -41.35 68.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -67.73 -48.25 67.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -94.11 34.72 1.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.1 t-80 -73.2 139.91 79.47 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.822 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.4 Cg_endo -69.78 -28.18 25.46 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.652 2.234 . . . . 0.0 112.335 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -60.48 -51.81 67.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.5 p -78.36 -24.46 46.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -93.02 88.03 5.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -91.57 -54.53 3.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -85.3 24.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -122.64 88.64 49.82 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.656 0.741 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -25.52 28.54 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.72 2.28 . . . . 0.0 112.349 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HB3' ' NZ ' ' A' ' 49' ' ' LYS . 13.2 mmmt -67.45 -38.12 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.7 -39.98 8.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -52.04 -35.24 46.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -80.93 -43.01 20.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' NZ ' ' HB3' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -61.45 -57.95 10.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -44.51 -41.46 6.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 m -58.56 -41.75 86.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -71.02 -34.29 71.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.8 mt -64.16 -50.4 68.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.551 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -62.7 -51.95 65.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.549 ' O ' HG23 ' A' ' 59' ' ' VAL . 23.9 tt0 -51.62 -43.14 62.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.98 -43.42 86.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -69.26 -45.45 69.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.56 -50.3 74.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 55' ' ' GLU . 86.3 t -59.11 -61.21 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HB3' HD13 ' A' ' 24' ' ' ILE . 45.5 mt -54.1 -63.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.7 p -41.22 -37.06 0.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -78.96 109.45 13.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -49.85 -36.5 27.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -74.57 -64.67 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -46.78 -42.15 16.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -56.45 -59.66 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -44.2 -42.18 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -66.1 -40.45 90.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 73' ' ' GLY . 2.6 t80 -65.73 -48.22 72.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -42.45 -45.02 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.54 -40.17 17.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -89.62 27.27 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 69' ' ' TYR . . . -158.64 78.79 0.18 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.1 t -82.52 164.9 20.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.94 0.4 . . . . 0.0 110.819 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -119.63 160.66 14.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.21 4.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.266 . . . . 0.0 112.351 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.1 t -42.14 108.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.7 t -127.88 142.22 51.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.784 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.522 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -126.68 166.2 17.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.355 . . . . 0.0 110.854 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -58.11 142.83 45.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.25 172.37 44.39 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -76.85 131.47 38.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 110.845 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' GLY . 4.4 m -85.32 -52.22 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.22 -48.58 0.83 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -53.05 105.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -48.86 -35.23 14.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.507 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 40.1 m-85 -55.89 -33.38 64.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -77.46 -42.24 36.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.0 -36.93 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 60' ' ' LEU . 39.6 mt -89.79 -40.68 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.02 40.25 3.59 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 m -129.12 151.23 77.34 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.663 0.744 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 19' ' ' ALA . 53.5 Cg_endo -69.8 139.27 39.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.329 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.507 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 73.8 mtp180 -41.97 -34.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -96.19 39.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -75.6 164.42 26.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' GLN . 3.6 m -102.87 143.42 32.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' SER . 51.8 mm-40 -37.92 -39.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -62.5 -56.17 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -59.41 -42.92 92.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 87.6 mt -58.76 -43.53 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -70.81 -52.83 18.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -53.06 -42.47 65.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.94 68.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.096 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.709 ' CD2' ' CG ' ' A' ' 57' ' ' TYR . 11.8 t80 -72.69 -52.17 16.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -61.24 -36.75 80.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -60.41 -50.16 74.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.449 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 12.2 mt -70.86 -44.34 66.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.09 -34.92 68.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -80.49 -35.94 34.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.55 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -69.65 -35.37 75.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.585 ' CD1' ' HE3' ' A' ' 49' ' ' LYS . 60.1 m-85 -114.07 30.96 6.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 8.7 t-80 -63.89 140.59 97.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.721 . . . . 0.0 110.837 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.73 -21.44 33.61 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 0.0 112.372 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.63 -2.92 25.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.8 p -131.25 -38.92 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.484 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 15.4 m-80 -97.43 65.26 1.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -86.28 -32.38 21.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -77.93 -24.59 48.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -85.38 126.02 68.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -49.66 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 48' ' ' GLU . 9.4 mmmt -47.95 -53.64 15.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.484 ' CB ' ' HB3' ' A' ' 40' ' ' ASN . . . -35.1 -38.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -61.37 -45.88 92.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 45' ' ' LYS . 5.0 tt0 -78.19 -45.03 24.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.585 ' HE3' ' CD1' ' A' ' 35' ' ' TYR . 8.1 mtpp -56.17 -44.88 79.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.484 ' CD1' ' HD3' ' A' ' 37' ' ' PRO . 28.1 t80 -59.64 -47.53 85.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 m -57.88 -48.35 80.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -61.04 -35.51 77.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 75.8 mt -67.91 -63.05 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -51.78 -44.47 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.39 -44.04 88.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.6 -40.89 96.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.709 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 61.6 t80 -71.82 -58.68 3.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -38.91 -29.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.441 HG22 ' HZ2' ' A' ' 65' ' ' LYS . 54.4 t -84.71 -63.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 13' ' ' LEU . 32.2 mt -53.72 -53.01 58.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.4 p -42.44 -40.69 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -86.24 122.01 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.28 -38.58 71.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 t -68.57 -68.86 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' HZ2' HG22 ' A' ' 59' ' ' VAL . 4.2 mtpm? -46.47 -32.95 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -66.57 -57.88 6.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -46.16 -42.43 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -69.06 -42.23 76.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -54.46 -41.44 69.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -75.37 -47.22 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.5 -60.6 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -68.86 -28.18 66.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.19 -171.24 0.38 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.6 p -108.19 165.58 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.878 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.72 169.83 41.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 91.97 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.706 2.27 . . . . 0.0 112.366 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -70.55 86.65 0.64 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.4 t -76.98 125.2 28.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m -99.01 173.9 6.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.92 0.39 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -113.1 158.4 20.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.908 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.39 151.03 7.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t 39.4 37.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 m -99.85 94.07 6.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.47 44.92 1.35 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -71.65 97.2 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -49.06 -38.79 25.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -55.49 -36.18 66.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -74.04 -40.1 63.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.2 mt -59.33 -33.48 51.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.452 ' CD2' ' HA ' ' A' ' 28' ' ' TYR . 67.3 mt -92.14 -28.28 17.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.85 36.3 7.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.8 m -121.24 147.03 46.01 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.656 0.741 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 146.23 59.48 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.682 2.254 . . . . 0.0 112.346 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -49.0 -25.26 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -104.96 36.27 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.53 159.93 24.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 m -94.84 151.07 19.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.549 ' HA ' HD12 ' A' ' 24' ' ' ILE . 3.4 tp-100 -42.59 -54.28 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -47.72 -48.94 29.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -57.62 -36.56 71.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 21' ' ' GLN . 36.6 mt -66.22 -43.65 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.111 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -70.65 -41.43 72.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.22 -50.62 69.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.05 -50.93 72.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.467 ' CE1' ' HA ' ' A' ' 54' ' ' ALA . 21.7 t80 -47.25 -68.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -50.54 -46.72 57.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -53.44 -34.65 58.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.944 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 20.9 mt -88.23 -26.98 22.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.51 -63.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 ptmt -53.26 -39.07 63.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 31.8 tttm -58.85 -35.38 72.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.494 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 53.6 m-85 -116.83 39.36 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.9 t-80 -64.75 140.63 98.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.56 0.695 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.4 Cg_endo -69.75 -22.95 31.43 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.66 2.24 . . . . 0.0 112.382 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -57.4 -47.85 80.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t -90.96 -19.38 23.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -104.36 68.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -69.67 -70.05 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' A' ' 43' ' ' ASP . 43.3 m-20 -69.72 -44.52 70.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.828 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 42' ' ' ASP . 12.1 t0 -32.66 96.1 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.56 0.695 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' ASP . 53.2 Cg_endo -69.79 -25.67 28.21 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp -77.87 -22.86 49.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.442 ' N ' ' OD1' ' A' ' 43' ' ' ASP . . . -76.14 -55.52 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 48' ' ' GLU . 19.1 pttm -45.74 -40.96 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.474 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 2.5 tt0 -73.25 -38.38 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -61.78 -53.58 54.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -53.81 -50.36 66.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.8 m -54.55 -27.17 36.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -80.55 -52.84 7.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.9 mt -46.7 -62.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.467 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . . . -45.64 -61.99 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -45.15 -51.66 10.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.85 -57.14 12.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -53.16 -46.42 68.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -48.95 -52.23 25.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.9 t -62.51 -62.91 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.176 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.432 ' CD1' HD12 ' A' ' 13' ' ' LEU . 40.3 mt -52.16 -65.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' LEU . 46.4 p -35.68 -53.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.466 ' CB ' ' HD2' ' A' ' 65' ' ' LYS . 9.2 t0 -72.21 108.18 5.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 64' ' ' VAL . 8.0 pt-20 -45.13 -41.12 7.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.47 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 92.8 t -62.23 -65.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.466 ' HD2' ' CB ' ' A' ' 62' ' ' ASP . 31.0 mttm -50.64 -39.65 51.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -58.85 -63.07 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -43.96 -44.99 7.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -61.71 -32.89 73.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -80.8 -27.57 36.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.01 -24.97 52.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.822 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.54 -53.91 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -77.71 -26.52 50.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.8 149.98 48.68 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.0 t -99.41 138.4 36.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.972 0.415 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.37 80.17 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 159.48 53.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 0.0 112.395 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.8 p -102.25 -179.01 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 m -72.6 149.45 43.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 179.985 . . . . . . . . 0 0 . 1 stop_ save_